Molecular Machine Learning
Molecular Machine Learning group @TU/e | AI/ML for drug discovery and chemical biology
Eindhoven University of TechnologyEindhoven, The Netherlands
Pinned Repositories
BME_data_analysis
de-novo-design-with-lstm
deep-cocrystal
The official codebase of the paper "Deep Supramolecular Language Processing for Co-crystal Prediction"
hitchhiker-guide-CLP
The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"
MoleculeACE
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
Nano_Particles_Active_Learning
peptidy
s4-for-de-novo-drug-design
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
traversing_chem_space
Molecular Machine Learning's Repositories
molML/MoleculeACE
A tool for evaluating the predictive performance on activity cliff compounds of machine learning models
molML/s4-for-de-novo-drug-design
The official codebase of the paper "Chemical language modeling with structured state space sequence models"
molML/traversing_chem_space
molML/peptidy
molML/hitchhiker-guide-CLP
The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"
molML/Nano_Particles_Active_Learning
molML/de-novo-design-with-lstm
molML/deep-cocrystal
The official codebase of the paper "Deep Supramolecular Language Processing for Co-crystal Prediction"
molML/BME_data_analysis