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@forlilab

Forli Lab

Code repository of the ForliLab

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  1. Meeko Meeko Public

    Interface for AutoDock, molecule parameterization

    Python 371 73

  2. Ringtail Ringtail Public

    Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina

    Python 64 8

  3. molscrub molscrub Public

    Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock

    Python 50 13

  4. waterkit waterkit Public

    Tool to predict water molecules placement and energy in ligand binding sites

    C++ 37 10

  5. cosolvkit cosolvkit Public

    CosolvKit is a versatile tool for cosolvent MD preparation and analysis

    Python 31 9

  6. bottchscore bottchscore Public

    Calculate Böttcher score on small molecules (doi.org/10.1021/acs.jcim.5b00723)

    Python 15 6

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