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  1. xpm2txt xpm2txt Public

    Updated xpm2txt.py to be compatible with Python 3.10

    Python

  2. AutoPLGMX AutoPLGMX Public

    An automated workflow to run GROMACS simulations for any protein-ligand complex.

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  3. PocketFlow PocketFlow Public

    Forked from Saoge123/PocketFlow

    an autoregressive flow model incorporated with chemical acknowledge for generating drug-like molecules inside protein pockets

    Python