skill tag
deep-learning▌
2 indexed skills · max 10 per page
skills (2)
molfeat
datamol-io/molfeat · data
Molecular featurization for ML (100+ featurizers). ECFP, MACCS, descriptors, pretrained models (ChemBERTa), convert SMILES to features, for QSAR and molecular ML.
diffdock
gcorso/DiffDock · research
DiffDock is a diffusion-based deep learning tool for predicting protein-ligand binding poses, crucial for structure-based drug discovery.