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  1. tummfm/CG-Mapping-Benchmark tummfm/CG-Mapping-Benchmark Public

    Testing different CG mappings with classical and machine learning potentials.

    Jupyter Notebook 3

  2. plinder-org/plinder plinder-org/plinder Public

    Protein Ligand INteraction Dataset and Evaluation Resource

    Python 267 19

  3. tummfm/chemtrain tummfm/chemtrain Public

    Training Neural Network potentials through customizable routines in JAX.

    Python 59 5