Alternatives to Avogadro
Compare Avogadro alternatives for your business or organization using the curated list below. SourceForge ranks the best alternatives to Avogadro in 2026. Compare features, ratings, user reviews, pricing, and more from Avogadro competitors and alternatives in order to make an informed decision for your business.
-
1
SYNTHIA Retrosynthesis Software
Merck KGaA
Expert-coded by chemists and engineered by computer scientists, SYNTHIA™ Retrosynthesis Software enables scientists to quickly find and easily navigate innovative and novel pathways for novel and published target molecules. Quickly and efficiently scan hundreds of pathways to help you identify the best option according to your needs. Explore the most cost-effective routes to your target molecules with state of the art visualization and filtering options. Easily customize search parameters to eliminate or promote reactions, reagents or classes of molecules. Explore unique and innovative syntheses that may be unknown for building your desired molecule. Easily generate a list of commercially available starting materials for your synthesis. Benefit from ISO/IEC 27001 Information Security Certification to guarantee the confidentiality, integrity, and protection of your data.Starting Price: €0 / 30 days -
2
PyMOL
PyMOL
PyMOL is a user-sponsored molecular visualization system on an open-source foundation, maintained and distributed by Schrödinger. PyQt interface replaces Tcl/Tk and MacPyMOL on all platforms. Better third-party plugin and custom scripting support. A comprehensive software package for rendering and animating 3D structures. A plug-in for embedding 3D images and animations into PowerPoint presentations. PyMOL is a commercial product, but we make most of its source code freely available under a permissive license. The open-source project is maintained by Schrödinger and ultimately funded by everyone who purchases a PyMOL license. Open access incentive executables. Liberal evaluation policy. Improved fuse command (disallows hypervalent bonds, substitutes monovalent atoms instead of attaching to them) Properties inspector now supports unsetting settings with the “delete” key. Fix workspace disappearing on specific display resolutions. -
3
HyperProtein
Hypercube
HyperProtein is Hypercube, Inc.'s new product focusing on the computational science associated with protein sequences. The product includes the analysis of one-dimensional protein sequences as well as the analysis of consequent three-dimensional protein structures. In particular, the relationship between sequence and structure is a fundamental facet of the product. Unlike individual software programs that provide capability for some aspect of protein sequence or structure, such as sequence alignment, HyperProtein puts together a multitude of Bioinformatics and Molecular Modeling tools related to the science that initiates with a protein sequence. -
4
MolPad
MolPad
MolPad integrates an interactive chemistry sketcher into any online learning platform. Build open questions about molecular structure and organic chemistry that go beyond just recognizing the right answer. Discover how MolPad can enrich online chemistry education by providing a low code environment for creating dynamic content and smart assessment. With MolPad, we have developed several solutions for interactive and intuitive drawing of structural formulas, enabling the student to practice with topics like chemical naming, functional groups, and Lewis structures in a digital environment. By providing smart feedback based on specific errors, the student can gain more insight than with multiple choice questions. -
5
Schrödinger
Schrödinger
Transform drug discovery and materials research with advanced molecular modeling. Our physics-based computational platform integrates differentiated solutions for predictive modeling, data analytics, and collaboration to enable rapid exploration of chemical space. Our platform is deployed by industry leaders worldwide for drug discovery, as well as for materials science in fields as diverse as aerospace, energy, semiconductors, and electronics displays. The platform powers our own drug discovery efforts, from target identification to hit discovery to lead optimization. It also drives our research collaborations to develop novel medicines for critical public health needs. With more than 150 Ph.D. scientists on our team, we invest heavily in R&D. We’ve published over 400 peer-reviewed papers that demonstrate the strength of our physics-based approaches, and we’re continually pushing the limits of computer modeling. -
6
AQChemSim
SandboxAQ
AQChemSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQChemSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQChemSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQChemSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
7
BIOVIA
Dassault Systèmes
BIOVIA solutions create an unmatched scientific management environment that can help science-based organizations create and connect biological, chemical and material innovations to improve the way we live. The industry-leading BIOVIA portfolio is focused on integrating the diversity of science, experimental processes and information requirements end-to-end across research, development, QA/QC and manufacturing. Capabilities over the areas of Scientific Informatics, Molecular Modeling/Simulation, Data Science, Laboratory Informatics, Formulation Design, BioPharma Quality & Compliance and Manufacturing Analytics. BIOVIA is committed to enhancing and speeding innovation, increasing productivity, improving quality and compliance, reducing costs and accelerating product development for customers in multiple industries. Manage and connect scientific innovation processes and information across the product lifecycle. -
8
ChemSketch
ACD/Labs
Comprehensive molecular structure drawing and naming. Draw chemical structures and communicate your science. -
9
InQuanto
Quantinuum
Quantum computing offers a path forward to rapid and cost-effective development of new molecules and materials. InQuanto, a state-of-the-art quantum computational chemistry platform, represents a critical step toward this goal. Quantum chemistry aims to accurately describe and predict the fundamental properties of matter and hence is a powerful tool in the design and development of new molecules and materials. However, molecules and materials of industrial relevance are complex and not easy to accurately simulate. Today’s capabilities force a trade to either use highly accurate methods on the smallest-sized systems or use approximating techniques. InQuanto’s modular workflow enables both computational chemists and quantum algorithm developers to easily mix and match the latest quantum algorithms with advanced subroutines and error mitigation techniques to get the best out of today’s quantum platforms. -
10
MoluCAD
New River Kinematics
MoluCAD is a full-featured molecular modeling and visualization tool designed for Windows. It is the result of a three-year National Institutes of Health biomedical technology research project aimed at producing low-cost educational software for chemistry students. The latest version incorporates many advanced features only found in expensive workstation-based modeling packages. Ease of use, premium graphical quality, and computational robustness are the trademarks of MoluCAD. Novice users are able to quickly generate models, view them form any perspective, create reaction animations, and save all data to disk. -
11
BIOVIA Materials Studio
Dassault Systèmes
BIOVIA Materials Studio is a comprehensive modeling and simulation environment designed to enable researchers in materials science and chemistry to predict and understand the relationships between a material’s atomic and molecular structure and its properties and behavior. Utilizing an "in silico first" approach allows for the optimization of material performance in a cost-effective virtual setting prior to physical testing. It supports a wide range of materials, including catalysts, polymers, composites, metals, alloys, pharmaceuticals, batteries, and more. It offers tools for quantum, atomistic, mesoscale, statistical, analytical, and crystallization simulations, facilitating the design of advanced materials across various industries. Features include the ability to accelerate innovation, reduce R&D costs through virtual screening, and improve efficiency by automating best practices within Pipeline Pilot. -
12
Ascalaph Designer
Agile Molecule
Ascalaph Designer is a general-purpose program for molecular dynamic simulations. Under a single graphical environment are represented as their own implementation of molecular dynamics as well as the methods of classical and quantum mechanics of popular programs. Molecular geometry optimization with conjugate gradient methods. Shows molecular models in separate windows. Each window has two cameras, which allow the model to be simultaneously visualized from two sides and in different graphic modes. The subwindow can be opened by dragging the splitter in the right corner of each graphical window. Clicking on an atom or bond with the left mouse button slightly changes their color and a brief info about the picked object appears in the status bar. The wire-frame style is convenient for large molecules, particularly, proteins. Drawing is very fast for this style. Finally, CPK wire frame combines the properties of several above styles.Starting Price: Free -
13
Promethium
Promethium
Promethium is a GPU-powered chemistry simulation platform designed to accelerate drug and materials development by enabling faster and more accurate quantum chemistry calculations. Built from the ground up for NVIDIA datacenter GPUs like A100, it employs novel QC Ware streaming algorithms to achieve unprecedented computational speed and high throughput-to-power consumption ratios. It supports density functional theory calculations on systems with up to 2,000 atoms, allowing simulations of large molecular systems that are not feasible with legacy CPU-powered ab initio codes. For instance, a single-point calculation of a 2,056-atom protein can be completed in 14 hours on a single GPU. Promethium offers a range of capabilities, including single-point energy calculations, geometry optimization, conformer search, torsion scan, reaction path optimization, transition state optimization, interaction energy computations, and relaxed potential energy surface scans.Starting Price: $30 per hour -
14
Tox Suite
ACD/Labs
Calculate drug toxicity and safety endpoints to reduce attrition rates of molecular entities that are unlikely to succeed to nomination as a drug candidate, direct new compound synthesis, and focus animal testing requirements. -
15
BIOVIA Discovery Studio
Dassault Systèmes
Today’s biopharmaceutical industry is marked by complexity: growing market demands for improved specificity and safety, novel treatment classes and more intricate mechanisms of disease. Keeping up with this complexity requires a deeper understanding of therapeutic behavior. Modeling and simulation methods provide a unique means to explore biological and physicochemical processes down to the atomic level. This can guide physical experimentation, accelerating the discovery and development process. BIOVIA Discovery Studio brings together over 30 years of peer-reviewed research and world-class in silico techniques such as molecular mechanics, free energy calculations, biotherapeutics developability and more into a common environment. It provides researchers with a complete toolset to explore the nuances of protein chemistry and catalyze discovery of small and large molecule therapeutics from Target ID to Lead Optimization. -
16
Swiss-PdbViewer
Swiss-PdbViewer
Swiss-PdbViewer (aka DeepView) is an application that provides a user-friendly interface allowing to analysis of several proteins at the same time. The proteins can be superimposed in order to deduce structural alignments and compare their active sites or any other relevant parts. Amino acid mutations, H-bonds, angles, and distances between atoms are easy to obtain thanks to the intuitive graphic and menu interface. Swiss-PdbViewer (aka DeepView) has been developed since 1994 by Nicolas Guex. Swiss-PdbViewer was initially tightly linked to SWISS-MODEL, an automated homology modeling server developed within the Swiss Institute of Bioinformatics (SIB) at the Structural Bioinformatics Group at the Biozentrum in Basel. However, the SWISS-MODEL web interface evolved to a point where it is now possible to use it directly for advanced modeling. Maintaining a direct interface with Swiss-PdbViewer is too complex and no longer supported. -
17
NobleAI
NobleAI
NobleAI enables companies to accelerate the development of better-performing, more environmentally sustainable, and reliably sourced chemical & material products. At NobleAI, we believe that materials science and chemistry are key to building a sustainable world and that AI is essential to unlock this potential. NobleAI’s science-based AI is a powerful fusion of novel artificial intelligence techniques and all available scientific knowledge, optimized for product development. This combination of data-driven insights and scientifically guided design delivers much higher levels of accuracy with far less data and training time. This delivers deeper insights while exhibiting greater transparency, interpretability, and scientific fidelity. -
18
QSimulate
QSimulate
QSimulate offers a suite of quantum simulation platforms that leverage quantum mechanics to solve complex, industrial-scale problems in life sciences and materials science. The QSP Life platform provides unique quantum-powered methods for drug discovery and optimization, enabling first-of-a-kind quantum simulations of ligand-protein interactions applicable throughout the computational drug discovery process. The QUELO platform performs hybrid quantum/classical free energy calculations, offering users the ability to run relative free energy calculations using the free energy perturbation (FEP) approach. Additionally, QSimulate's technology enables groundbreaking advances in quantum mechanics/molecular mechanics (QM/MM) simulations for large protein modeling. For materials science, the QSP Materials platform democratizes quantum mechanical simulations, allowing experimentalists to automate complex workflows without the need for specialization. -
19
YASARA
YASARA
YASARA is a molecular graphics, modeling, and simulation program for Windows, Linux, MacOS, and Android developed in 1993, that finally makes it really easy to answer your questions. With an intuitive user interface, photorealistic graphics, and support for affordable virtual reality headsets, shutter glasses, autostereoscopic displays, and input devices, YASARA creates a new level of interaction with the 'artificial reality', that allows you to focus on your goal and forget about the details of the program. YASARA is powered by PVL (Portable Vector Language), a new development framework that provides performance way above traditional software. PVL allows you to visualize even the largest proteins and enables true interactive real-time simulations with highly accurate force fields on standard PCs, making use of GPUs if available. You can push and pull molecules around and work with dynamic models instead of static pictures.Starting Price: Free -
20
MEGA
MEGA
MEGA (Molecular Evolutionary Genetics Analysis) is a powerful and user-friendly software suite designed for analyzing DNA and protein sequence data from species and populations. It facilitates both automatic and manual sequence alignment, phylogenetic tree inference, and evolutionary hypothesis testing. MEGA supports a variety of statistical methods including maximum likelihood, Bayesian inference, and ordinary least squares, making it an essential tool for comparative sequence analysis and understanding molecular evolution. MEGA offers advanced features such as real-time caption generation to help explain the results and methods used in analysis and the maximum composite likelihood method for estimating evolutionary distances. The software is equipped with robust visual tools like the alignment/trace editor and tree explorer and supports multi-threading for efficient processing. MEGA can be run on multiple operating systems, including Windows, Linux, and macOS.Starting Price: Free -
21
VeraChem
VeraChem
VeraChem LLC was founded in 2000 to advance the state of the art in computer-aided drug discovery and molecular design by developing computational chemistry methods that are based on cutting-edge basic science but are also applicable in applied science research settings. Efficient high-performance software implementations of these methods coupled with comprehensive user support are a central company strategy for product development. Current VeraChem software capabilities include protein-ligand and host-guest binding affinity prediction, fast calculation of accurate partial atomic charges for drug-like compounds, computation of energies and forces with all the commonly used empirical force fields, automatic generation of alternate resonance forms of drug-like compounds, conformational search with the powerful Tork algorithm, and automatic detection of topological and 3D molecular symmetries. VeraChem’s software packages are constructed from a modular code base. -
22
Khimera
Kintech Laboratory
Khimera is used to calculate the kinetic parameters of microscopic processes, thermodynamic and transport properties of substances and their mixtures in gases, plasmas and gas-solid phases boundary. The primary users are researchers and engineers, involved in kinetic model development as well as thermodynamic and kinetic modeling for chemical engineering, combustion, catalysis, metallurgy, and microelectronics areas. Khimera ideally fits the needs of multi-scale modeling providing the link between fundamental molecular properties of individual molecules and mesoscale ensemble-averaged characteristics of the reactive medium: thermodynamic and transport properties as well as rates of chemical reactions. All the models can use the results of quantum-chemical simulations as an input, thus providing the possibility to recover properties without any experimental input from the user side. -
23
Evo 2
Arc Institute
Evo 2 is a genomic foundation model capable of generalist prediction and design tasks across DNA, RNA, and proteins. It utilizes a frontier deep learning architecture to model biological sequences at single-nucleotide resolution, achieving near-linear scaling of compute and memory relative to context length. Trained with 40 billion parameters and a 1 megabase context length, Evo 2 processes over 9 trillion nucleotides from diverse eukaryotic and prokaryotic genomes. This extensive training enables Evo 2 to perform zero-shot function prediction across multiple biological modalities, including DNA, RNA, and proteins, and to generate novel sequences with plausible genomic architecture. The model's capabilities have been demonstrated in tasks such as designing functional CRISPR systems and predicting disease-causing mutations in human genes. Evo 2 is publicly accessible via Arc's GitHub repository and is integrated into the NVIDIA BioNeMo framework. -
24
Qlucore Omics Explorer
Qlucore
Qlucore Omics Explorer is so easy to use that you no longer have to depend on an expert in bioinformatics to explore and analyze your Omics and NGS data sets. Qlucore Omics Explorer is a D.I.Y next-generation bioinformatics software for research in life science, plant- and biotech industries, as well as academia. The powerful and flexible visualization-based data analysis tool with inbuilt powerful statistics delivers immediate results and provides instant exploration and visualization of big data. The software is developed to allow the workflow which best suits you and your experiments and maximizes the outcome of your research. By combining instant visualization with powerful statistics and flexible selection methods, you will be able to see your results immediately. As a user, you decide your own workflow and starting point. You are in control and can tailor the exploration to meet your specific needs. -
25
ArgusLab
ArgusLab
ArgusLab is a molecular modeling, graphics, and drug design program for Windows operating systems. It’s getting a little dated by now, but remains surprisingly popular. To date, there are more than 20,000 downloads. ArgusLab is freely licensed. You don’t need to sign anything. You can use as many copies as you need if you are teaching a class where your students might benefit from using ArgusLab. You are not allowed to redistribute ArgusLab from other websites or sources. However, you may link to this website from your own websites if you like. A low-key effort is currently underway to port ArgusLab to the iPad. In addition, I’ve done some work with the Qt cross-platform development environment in an effort to support Mac, PC, and Linux.Starting Price: Free -
26
Torx
Cresset Group
Make better design decisions and track compound synthesis from start to finish with ease. Torx is a visual, chemistry aware, web-based platform that inspires discovery chemistry teams to work together and deliver faster. Dedicated stand-alone modules for Design, Make, Test and Analyze that work in synergy to deliver a complete discovery cycle platform. Design molecules faster, capture and share knowledge, and manage resources with ease. Collaborative team working and information delivery for all roles in the DMTA cycle. However you refer to it, 'Design-Make-Test-Analyze' or 'Design-Synthesize-Test-Analyze', all small molecule chemistry teams go through a common process: design molecules, make or synthesize compounds, then test and analyze the results before the next iteration; it’s the mantra of chemistry teams all over the world. -
27
Evo Designer
Arc Institute
Evo Designer is an advanced tool developed by the Arc Institute, leveraging the capabilities of the Evo 2 genomic foundation model to facilitate DNA sequence generation and analysis. This platform enables users to input nucleotide sequences or specify organisms, prompting the model to generate corresponding DNA sequences. It provides comprehensive annotations of coding regions and, for prokaryotic sequences, offers 3D protein visualizations utilizing ESMFold. Additionally, Evo Designer evaluates sequences by scoring their perplexity and per-nucleotide entropy, assisting researchers in assessing sequence complexity and variability. The underlying Evo 2 model is trained on over 9 trillion nucleotides from a diverse array of prokaryotic and eukaryotic genomes, employing a deep learning architecture that models biological sequences at single-nucleotide resolution with a context window extending up to 1 million tokens. -
28
LatchBio
LatchBio
Stop wresting with cloud infrastructure and broken informatics tools. Start discovering biological insights today. Scientific discovery is bottlenecked by the fragmentation of tooling across biology and bioinformatics teams. We built a harmonized bioinformatics platform between wet lab and dry lab in the cloud to help teams accelerate their R&D. Import raw data from your cloud, your service provider, or your team's instruments. Develop and deploy custom bioinformatics workflows in any language. Stop wrestling with your infrastructure. Easily run any workflow and keep a log of every analysis. Ready-to-go interactive visualizations for NGS data with point-and-click plots. Latch supports integration with your organization’s AWS S3. Access hundreds of terabytes of data in an organic filesystem you are familiar with. Define bioinformatics workflows and dynamically generate no-code interfaces using Python with tunable compute and storage. -
29
Pluto
Pluto Biosciences
Since its founding in 2021 from the Wyss Institute at Harvard University, Pluto has become a trusted partner of life sciences organizations around the country ranging from biotech start-ups to public biopharma companies. Our cloud-based platform gives scientists the ability to manage all of their data, run bioinformatics analyses, and create interactive and publication-quality visualizations. The platform is currently being used for a wide variety of biological applications, from preclinical / translational science research, to cell and gene therapies, drug discovery and development, to clinical research. -
30
Albert
Albert Invent
Meet Albert, the end-to-end platform that’s digitalizing materials science for the age of AI. From molecular design to industrial production, we've lived the challenges of chemical innovation. Albert is built and implemented by industry veterans to meet the real-world needs of chemists, for today's challenges and tomorrow's innovations. Break down the silos in your R&D processes with Albert’s end-to-end platform. By combining ELN, LIMS, AI/ML, automated SDS generation, and other capabilities, Albert creates a unified flow of knowledge throughout R&D that enables innovation. Equip every scientist in your organization with the power of AI. Albert's specialized AI is trained like a chemist to optimize formulations and accelerate experiments, so you can get new products to market more than 50% faster. Our intuitive design and collaborative implementation, rooted in our own lab experience, ensure seamless integration into your workflows. -
31
Signals Notebook
Revvity Signals
Signals Notebook has a modern user interface like the ones on all your personal apps, the need for training is negligible. You will be up and running in no time. That’s part of the reason Signals Notebook is the electronic lab notebook of choice for companies as to whether it’s a team of 4-5 research scientists to the largest biotechs and pharmaceutical companies in the world. Flexibility and breadth to support wide range of workflows now and in the future — including both chemistry, biology, formulations, analytical sciences, and materials sciences. Over 1 million scientists at 4000 organizations count on Signals Notebook to help them streamline their workflows. Structured data capture with APIs and interfaces for integration with instruments, in-house systems, and databases. -
32
Chemaxon Marvin Pro
Chemaxon
Draw and publish chemical structures seamlessly with our web-based chemistry editor. Marvin Pro is a drawing tool that combines our chemically intelligent technology with a clean user interface. Chemists, researchers, and students can convert their thoughts into high-quality visual representations in no time. Marvin Pro handles a large number of objects, chemical structures, arrows, or texts, on a single canvas, and aligns them with precision. Chemical editors shouldn’t be complicated. With our intuitive solution, you can transform your chemical structure ideas into clear visuals. The quality of your chemical drawing should match the effort you put into your research. Marvin Pro allows you to create high-quality visuals that you can then present to your workplace. Let the Marvin Pro canvas become an extension of your mind. Add predefined templates or labels, color your structures, and insert images from external sources. You can even display the structure’s formula. -
33
Materials Zone
Materials Zone
From materials data to better products, faster! Accelerates R&D, scale-up, and optimizes manufacturing QC and supply chain decisions. Discover new materials, use ML guidance to forecast outcomes, and achieve faster and improved results. Build a model on your way to production. Test the model's limits behind your products to design cost-efficient and robust production lines. Use models to predict future failures based on supplied materials informatics and production line parameters. The Materials Zone platform aggregates data from independent entities, materials providers, factories, or manufacturing facilities, communicating between them through a secured platform. By using machine learning (ML) algorithms on your experimental data, you can discover new materials with desired properties, generate ‘recipes’ for materials synthesis, build tools to analyze unique measurements automatically, and retrieve insights. -
34
SnapGene
SnapGene
Accurately design and simulate cloning procedures. Test complicated projects, catch errors before they happen, and obtain the right constructs the first time. Cloning is easier when you can see what you are doing. The intuitive interface offers you unparalleled visibility into your work, simplifying often complex tasks. SnapGene automates documentation, so you don’t have to. See and share every sequence edit and cloning procedure that led to your final plasmid. Improve your core molecular biology procedures, and improve your results. Master SnapGene and key concepts in cloning with our new online learning center, SnapGene Academy. Containing over 50 video tutorials taught by scientific experts, SnapGene Academy helps you advance your skills across multiple molecular biology courses. SnapGene 7.2 provides a new visualization of primer homodimer structures and enhancements to file management, allowing tabs to be organized in multiple windows using drag and drop.Starting Price: $295 per year -
35
StarDrop
Optibrium
With its comprehensive suite of integrated software, StarDrop™ delivers best-in-class in silico technologies within a highly visual and user-friendly interface. StarDrop™ enables a seamless flow from the latest data through predictive modeling to decision-making regarding the next round of synthesis and research, improving the speed, efficiency, and productivity of the discovery process. Successful compounds require a balance of many different properties. StarDrop™ guides you through this multi-parameter optimization challenge to target compounds with the best chance of success, saving you time and resources by enabling you to synthesize and test fewer compounds. -
36
ruffus
ruffus
Ruffus is a computation pipeline library for python. It is open-sourced, powerful and user-friendly, and widely used in science and bioinformatics. Ruffus is designed to allow scientific and other analyses to be automated with the minimum of fuss and the least effort. Suitable for the simplest of tasks. Handles even fiendishly complicated pipelines which would cause make or scons to go cross-eyed and recursive. No "clever magic", no pre-processing. Unambitious, the lightweight syntax which tries to do this one small thing well. Ruffus is available under the permissive MIT free software license. This permits free use and inclusion even within proprietary software. It is good practice to run your pipeline in a temporary, “working” directory away from your original data. Ruffus is a lightweight python module for building computational pipelines. Ruffus requires Python 2.6 or higher or Python 3.0 or higher.Starting Price: Free -
37
Osium AI
Osium AI
Osium AI is an AI-powered software platform that enables industry leaders to accelerate the development of sustainable and high-performance materials and chemicals. By leveraging proprietary technology developed by experts with over a decade of experience in AI and multiple AI patents, Osium AI offers a unified solution covering every step of the materials and chemicals development cycle, from formulation and characterization to scale-up and manufacturing. It allows users to predict any material or chemical property in just a few seconds, design optimal routes for R&D experiment planning, analyze material characteristics and defects swiftly, and optimize existing processes to decrease costs, enhance properties, and reduce CO₂ emissions. Osium AI's software is designed to help with any R&D project and adapts to evolving needs, enabling efficient scaling of developments. -
38
PhysChem Suite
ACD/Labs
Calculate physicochemical properties such as aqueous solubility, boiling point, logD, logP, pKa, Sigma, and other molecular descriptors for organic compounds, from chemical structure. -
39
Dotmatics
Dotmatics
Dotmatics is the global leader in R&D scientific software that connects science, data, and decision-making. Combining a workflow and data platform with best-of-breed applications, we offer the first true end-to-end solutions for biology, chemistry, formulations, data management, flow cytometry, and more. Trusted by more than 2 million researchers from the world’s leading biopharma, chemicals and materials enterprises, and academic institutions, we are dedicated to working with the scientific community to help make the world a healthier, cleaner and safer place to live. Learn more about our platform and products, including GraphPad Prism, Geneious, SnapGene, Protein Metrics, LabArchives, and more. -
40
ChemDraw
PerkinElmer
Since 1985 ChemDraw® solutions have provided powerful capabilities and integrations to help you quickly turn ideas and drawings into publications you can be proud of. A chemistry communication suite, ChemOffice+ Cloud transforms your chemical drawings into chemical knowledge by facilitating the management, reporting and presenting of your Chemistry research. ChemOffice+ Cloud, is a robust, comprehensive suite, purpose-built to simplify, facilitate, and accelerate chemistry communication. The cloud-native chemistry communication suite builds on the foundations of ChemDraw Professional and adds access to a powerful set of tools to enable scientific research. The mundane task of creating reports to communicate chemical research has become much more efficient with ChemOffice+ Cloud. With powerful capabilities to search, reuse, select, and organize chemical structures and data, chemists can use ChemOffice+ Cloud to create presentation-ready PowerPoint slides and manuscripts. -
41
Chemaxon Design Hub
Chemaxon
A platform that connects scientific rationale, compound design, and computational resources. Chemaxon’s Design Hub for medicinal chemistry from analysis to prioritize ideas. Design Compounds and manage ideas within one platform. A single platform that connects scientific rationale, compound design, and computational resources. Switch from PowerPoint files to graphical and chemically searchable hypotheses that are an integral part of the compound design process. Easily work with your trusted phys-chem properties, computational models, novelty issues, or purchasable compound catalogs in a rich visual environment. Involve your CROs in the compound progression process using this secure online service. Analyze collected evidence from biological assays or experimental structural information, extract SAR, and make new hypotheses for the next optimization iteration. Store your scientific hypotheses in a “designer's ELN” (chemically aware drawing canvases). -
42
Geneious
Geneious
Geneious Prime makes bioinformatics accessible by transforming raw data into visualizations that make sequence analysis intuitive and user-friendly. Simple sequence assembly and easy editing of contigs. Automatic annotation for gene prediction, motifs, translation, and variant calling. Genotype microsatellite traces with automated ladder fitting and peak calling and generates tables of alleles. Beautiful visualizations of annotated genomes and assemblies are displayed in a highly customizable sequence view. Powerful SNP variants analysis, simple RNA-Seq expression analysis, and amplicon metagenomics. Design and test PCR and sequencing primers and create your own searchable primer database. Geneious Biologics is a flexible, scalable, and secure way to streamline your antibody analysis workflows, create high-quality libraries and select the optimal therapeutic candidates.Starting Price: $1,280 per year -
43
L7|ESP
L7 Informatics
L7 Enterprise Science Platform (L7|ESP®) is a unified platform that contextualizes data and eliminates business silos via process orchestration. It's a comprehensive solution that facilitates the digitalization of data and scientific processes in life sciences organizations. L7|ESP has native applications, including L7 LIMS, L7 Notebooks, L7 MES, L7 Scheduling, and more. It can integrate with existing third-party applications, lab instruments, and devices to capture all data in a single data model. It has a low-code/no-code workflow designer and hundreds of pre-built connectors to enable rapid time-to-value and end-to-end automation. By leveraging a single data model, L7|ESP enables advanced bioinformatics, AI, and ML to offer novel scientific and operational insights. L7|ESP addresses data and lab management needs in life sciences, particularly in: ● Research and Diagnostics ● Pharma and CDMO ● Clinical Sample Management Resource Center: l7informatics dot com/resource-center -
44
AQBioSim
SandboxAQ
AQBioSim is a cloud-native platform developed by SandboxAQ that leverages Large Quantitative Models (LQMs) grounded in physics and chemistry to revolutionize materials discovery and optimization. By integrating Density Functional Theory (DFT), Iterative Full Configuration Interaction (iFCI), Generative AI, Bayesian Optimization, and Chemical Foundation Models, AQBioSim enables high-fidelity simulations of molecular and material behaviors under real-world conditions. AQBioSim's capabilities include predicting performance under various stresses, accelerating formulation through in silico testing, and exploring sustainable chemical processes. Notably, AQBioSim has demonstrated significant advancements in battery technology by reducing lithium-ion battery end-of-life prediction time by 95%, achieving 35x greater accuracy with 50x less data. -
45
Eidogen-Sertanty Target Informatics Platform (TIP)
Eidogen-Sertanty
Eidogen-Sertanty's Target Informatics Platform (TIP) is the world's first structural informatics system and knowledgebase that enables researchers with the ability to interrogate the druggable genome from a structural perspective. TIP amplifies the rapidly expanding body of experimental protein structure information and transforms structure-based drug discovery from a low-throughput, data-scarce discipline into a high-throughput, data-rich science. Designed to help bridge the knowledge gap between bioinformatics and cheminformatics, TIP supplies drug discovery researchers with a knowledge base of information that is both distinct from and highly complementary to information furnished by existing bio- and cheminformatics platforms. TIP's seamless integration of structural data management technology with unique target-to-lead calculation and analysis capabilities enhances all stages of the discovery pipeline. -
46
BIOVIA TURBOMOLE
Dassault Systèmes
BIOVIA TURBOMOLE is a high-performance quantum chemistry software package designed for ab initio electronic structure calculations across molecules, clusters, periodic systems, and solutions. Developed initially by the University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, and now maintained by TURBOMOLE GmbH, it offers a comprehensive suite of computational methods, including density functional theory (DFT), Møller–Plesset perturbation theory, coupled-cluster techniques, and GW-Bethe–Salpeter methods. It excels in delivering accurate predictions for chemical reactions, spectroscopy, and optical device simulations, with features like reaction path optimizations, transition state searches, and solvation effects modeled using COSMO-RS. Spectroscopic capabilities encompass IR, Raman, VCD, UV-Vis, and vibronic spectra, while optical property simulations benefit from advanced spin-orbit coupling methods and relativistic all-electron calculations. -
47
ChemDoodle
iChemLabs
ChemDoodle 2D contains thousands of chemistry features, helping you produce the highest quality graphics and saving you hours of work. We spend a very long time scrutinizing the graphics output in ChemDoodle. The software automatically orients bonds in the correct directions, merges bond strokes together, places attributes in the best locations and automatically makes smart decisions that lead to the most beautiful and appealing images. Of course, you can always override the software to your preference. Every component of the graphic is fully customizable. Whether you are looking to control bond widths, arrowhead sizes or shape transparency and color; you are in control. ChemDoodle’s drawing controls are made to clearly model the atoms and bonds they manage. Copious visual feedback is provided. There are also many options for customizing the drawing tools to your preference, including for accessibility concerns.Starting Price: $12.5 per month -
48
ROSALIND
ROSALIND
Generate greater return on research and improve team productivity. Extend private and public data across teams with interactive data visualization. Rosalind is the only multi-tenant SaaS platform designed for scientists. Analyze, interpret, share, plan, validate, and generate new hypotheses. Code-free visualization, AI-powered interpretation, best-in-class collaboration. Scientists of every skill level can benefit from ROSALIND since no programming or bioinformatics skills are required. With powerful downstream analysis and collaboration, ROSALIND is a discovery platform and data hub connecting experiment design, quality control, and pathway exploration. ROSALIND automatically manages tens of thousands of compute cores and petabytes of storage to dynamically scale up and down for every experiment to deliver results. Instantly share results with other scientists across the globe with audit tracking so everyone can focus on the interpretation, not the processing.Starting Price: $3,250 per month -
49
Partek Flow
Partek
Partek bioinformatics software delivers powerful statistical and visualization tools in an easy-to-use interface. Researchers of all skill levels are empowered to explore genomic data quicker and easier than ever before. We turn data into discovery®. Pre-installed workflows and pipelines in our intuitive point-and-click interface make sophisticated NGS and array analysis attainable for any scientist. Custom and public statistical algorithms work in concert to easily and precisely distill NGS data into biological insights. Genome browser, Venn diagrams, heat maps, and other interactive visualizations reveal the biology of your next-generation sequencing and array data in brilliant color. Our Ph.D. scientists are always just a phone call away and ready to help with your NGS analysis any time you have questions. Designed specifically for the compute-intensive needs of next-generation sequencing applications with flexible installation and user management options. -
50
CrowdChem
CrowdChem
The CrowdChem Data Platform is a knowledge-based platform for the chemistry field, built on independently collected data. It enables users to smoothly select raw materials and search for customers through data analysis functions and text mining. Examples include discovering combinations of new raw materials, conducting more accurate usage investigations of chemical products, and creating lists of potential customers who can use each company's products. Information can be searched from highly comprehensive data collected from patents, papers, catalogs, news articles, etc., eliminating the need to dig around for necessary data. Users can select raw materials and customers on the platform by combining machine learning and natural language processing technology, allowing for raw material selection, customer search, competitive analysis, and more.
