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    5 repositories

    • mapsy

      Public
      Environment Interaction Mapping
      Python
      •
      MIT License
      •0•0•0•0•Updated Apr 18, 2026Apr 18, 2026

    • CoP

      Public
      A database of DFT energies and forces for training of interatomic potentials
      MIT License
      •0•0•0•0•Updated Nov 25, 2025Nov 25, 2025

    • NiP

      Public
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Sep 14, 2025Sep 14, 2025

    • vizzy

      Public
      Python
      •
      MIT License
      •2•0•0•0•Updated Jul 3, 2025Jul 3, 2025

    • gromacs-bfe

      Public
      Parameter files and scripts for binding free energy calculations for receptor+ligand systems
      Shell
      •0•0•0•0•Updated Dec 7, 2023Dec 7, 2023
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