Volkamer Lab

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1. teachopencaddteachopencaddPublic

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

   Jupyter Notebook 1.1k 242

2. opencaddopencaddPublic

   A Python library for structural cheminformatics

   Python 111 24

3. KinFragLibKinFragLibPublic

   Kinase-focused fragment library

   Jupyter Notebook 69 16

4. kissimkissimPublic

   Subpocket-based fingerprint for kinase pocket comparison

   Python 34 6

5. maxsmimaxsmiPublic

   maxsmi: a guide to SMILES augmentation. Find the optimal SMILES augmentation for accurate molecular prediction.

   Jupyter Notebook 35 4