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1. jkarolczak/ligand-classification jkarolczak/ligand-classification Public

   Project examing sparse deep learning architectures for ligand classification.

   Jupyter Notebook 11 1

2. chimerax-ligand-recognizer chimerax-ligand-recognizer Public

   This bundle provides ChimeraX command for recognizing ligands in cryoEM and X-ray crystallography maps using deep learning.

   Python 6 1

3. battery-rangers battery-rangers Public

   Repository for the paper "From drugs to materials: Improving knowledge transfer methods for data-scarce materials discovery" — a benchmark of knowledge transfer strategies (pre-training, fine-tunin…

   Python