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  1. Holoware-TestCases Holoware-TestCases Public

    Python 2 1

  2. sAC-data-BFE-validation sAC-data-BFE-validation Public

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  3. doublealchemify doublealchemify Public

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    An X-PLOR PSF post-processor for alchemical free energy calculations in NAMD

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    Python florine scanning

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  5. Ligand_Charge_Optimiser Ligand_Charge_Optimiser Public

    Forked from adw62/Ligand-Optimiser

    Python optimisation of atomistic ligand charges for receptor binding affinity

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  6. TMPRSS2 TMPRSS2 Public

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March 1, 2025

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