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1. crem crem Public

   CReM: chemically reasonable mutations framework

   Jupyter Notebook 261 44

2. pmapper pmapper Public

   3D pharmacophore signatures and fingerprints

   Python 111 24

3. rdkit-scripts rdkit-scripts Public

   rdkit scripts making life easier

   Python 77 24

4. spci spci Public

   Tool for mining structure-property relationships from chemical datasets

   Python 16 3

5. sirms sirms Public

   Simplex representation of molecular structure - a chemoinformatic tool for calculation of simplex descriptors

   Python 13 10

6. rspci rspci Public

   Analysis of fragments contributions calculated by SPCI software

   R 2 3