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1. mapchiral mapchiral Public

   Chiral Version of the MinHashed Atom-Pair Fingerprint

   Python 23 6

2. mxfp-python mxfp-python Public

   Open-source version of the MXFP fingerprint based on Python and the RDKit

   HTML 6 1

3. pdga pdga Public

   Repo containing the code of the peptide design genetic algorithm (PDGA).

   Python 2 1

4. NPstereo NPstereo Public

   Repository for the NPstereo chirality prediction tool

   Jupyter Notebook 5 2

5. moo moo Public

   RDKit wrapper to generate 3D structures with maxmium overlap.

   Python 6

6. confgen confgen Public

   Generate 3D conformers from a SMILES string with RDKit, pick the median conformer, and export it as a PDB file. Use this for high‑quality rendering in PyMol to create publication-ready images.

   Python 2