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1. molharbor molharbor Public

   Unofficial Python wrapper for molport API

   Python 2

2. ProLIF ProLIF Public

   Forked from chemosim-lab/ProLIF

   Interaction Fingerprints for protein-ligand complexes and more

   Python

3. reaction_utils reaction_utils Public

   Forked from MolecularAI/reaction_utils

   Utilities for working with datasets of chemical reactions, reaction templates and template extraction.

   Python 1

4. scikit-mol scikit-mol Public

   Forked from EBjerrum/scikit-mol

   scikit-learn classes for molecular vectorization using RDKit

   Jupyter Notebook