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1. MolScore MolScore Public

   An automated scoring function to facilitate and standardize the evaluation of goal-directed generative models for de novo molecular design

   Python 242 35

2. SMILES-RNN SMILES-RNN Public

   Repository for SMILES-based RNNs for reinforcement learning-based de novo molecule generation

   Python 71 12

3. acegen-open acegen-open Public

   Forked from Acellera/acegen-open

   Language models for drug discovery using torchrl

   Python

4. Cheminformantics Cheminformantics Public

   Data and code related to the cheminformantics blog https://cheminformantics.blogspot.com/

   Jupyter Notebook 8 2