Alsace08 / RetroDiff Public

[AISTATS 2025] Code and Data Repo for Paper "RetroDiff: Retrosynthesis as Multi-stage Distribution Interpolation"

arxiv.org/abs/2311.14077

Notifications

Name		Name	Last commit message	Last commit date
Latest commit History 2 Commits
data		data
diffusion		diffusion
evaluation		evaluation
pre-train		pre-train
prior		prior
utils		utils
visualization		visualization
README.md		README.md
arguments.py		arguments.py
main.py		main.py
marginal.py		marginal.py
prediction.py		prediction.py
smiles_utils.py		smiles_utils.py
synthon_preprocess.py		synthon_preprocess.py