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1. rdkit rdkit Public

   Forked from rdkit/rdkit

   The official sources for the RDKit library

   HTML

2. Reinvent Reinvent Public

   Forked from MolecularAI/Reinvent

   De Novo Molecule generation with Reinforcement Learning

   Python

3. teachopencadd teachopencadd Public

   Forked from volkamerlab/teachopencadd

   TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data

   Jupyter Notebook

4. PISA-MP PISA-MP Public

   PISA-M(P): Prediction of Interference with Specific assay Methods

   Python