Molecular Machine Learning's repositories
MoleculeACE
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
s4-for-de-novo-drug-design
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
hitchhiker-guide-CLP
The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"
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deep-cocrystal
The official codebase of the paper "Deep Supramolecular Language Processing for Co-crystal Prediction"
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