Best Molecular Modeling Software with a Free Trial

Compare the Top Molecular Modeling Software with a Free Trial as of January 2026

What is Molecular Modeling Software with a Free Trial?

Molecular modeling software is software used by chemists and biologists to visualize, simulate, and predict the properties of molecules. It can be used to design new drug molecules or study existing ones. The software uses computational algorithms and graphical user interfaces to depict molecular structure, as well as analyze functions such as bond lengths, angles, and energies. It can also simulate molecular dynamics processes to understand chemical reactivity on a molecular level. Compare and read user reviews of the best Molecular Modeling software with a Free Trial currently available using the table below. This list is updated regularly.

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    ChemDoodle

    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
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    Chemical Computing Group

    Chemical Computing Group

    Chemical Computing Group

    Chemical Computing Group (CCG) has a strong reputation for collaborative scientific support. With offices in North America, Europe and Asia, our team of PhD-level scientists works closely with our clients, providing support, hands-on training and scientific advice on a wide range of projects. CCG continuously develops new technologies with its team of mathematicians, scientists and software engineers and through scientific collaborations with customers.
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