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  1. ucm-lbqc/moltiverse ucm-lbqc/moltiverse Public

    Molecular conformer generation using enhanced sampling methods

    Crystal 20 2

  2. ucm-lbqc/polypharm ucm-lbqc/polypharm Public

    A Python-based library to perform IFD and MM/GBSA calculations on different targets using a polypharmacological approach.

    Python 3