Molecular Machine Learning
- 32 followers
- Eindhoven, The Netherlands
- https://molecularmachinelearning.com/
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MoleculeACE
MoleculeACE PublicA tool for evaluating the predictive performance on activity cliff compounds of machine learning models
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s4-for-de-novo-drug-design
s4-for-de-novo-drug-design PublicThe official codebase of the paper "Chemical language modeling with structured state space sequence models"
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chemical-language-processing-for-bioactivity-prediction
chemical-language-processing-for-bioactivity-prediction PublicThe official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"
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Repositories
- jungle-of-generative-drug-discovery Public
The official codebase of the paper "The Jungle of Generative Drug Discovery: Traps, Treasures, and Ways Out""
molML/jungle-of-generative-drug-discovery’s past year of commit activity - chemical-language-processing-for-bioactivity-prediction Public
The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"
molML/chemical-language-processing-for-bioactivity-prediction’s past year of commit activity - traversing_chem_space Public
molML/traversing_chem_space’s past year of commit activity - s4-for-de-novo-drug-design Public
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
molML/s4-for-de-novo-drug-design’s past year of commit activity - deep-cocrystal Public
The official codebase of the paper "Deep Supramolecular Language Processing for Co-crystal Prediction"
molML/deep-cocrystal’s past year of commit activity - MoleculeACE Public
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
molML/MoleculeACE’s past year of commit activity
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