Pinned Repositories
awesome-machine-learning
A curated list of awesome Machine Learning frameworks, libraries and software.
chemprop
Message Passing Neural Networks for Molecule Property Prediction
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
kNN-AD
Tropsha's kNN Applicability Domain
multiobj-rationale
Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
nonconformist
Python implementation of the conformal prediction framework.
ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design
jamel-mes's Repositories
jamel-mes/kNN-AD
Tropsha's kNN Applicability Domain
jamel-mes/awesome-machine-learning
A curated list of awesome Machine Learning frameworks, libraries and software.
jamel-mes/chemprop
Message Passing Neural Networks for Molecule Property Prediction
jamel-mes/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
jamel-mes/multiobj-rationale
Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)
jamel-mes/nonconformist
Python implementation of the conformal prediction framework.
jamel-mes/ReLeaSE
Deep Reinforcement Learning for de-novo Drug Design