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Forli Lab

Code repository of the ForliLab

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  1. AutoDock-Vina AutoDock-Vina Public

    AutoDock Vina

    C++ 1.1k 320

  2. AutoDock-GPU AutoDock-GPU Public

    AutoDock for GPUs and other accelerators

    C++ 614 151

  3. Meeko Meeko Public

    Interface for AutoDock, molecule parameterization

    Python 390 79

  4. Ringtail Ringtail Public

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

    Python 67 8

  5. molscrub molscrub Public

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

    Python 62 13

  6. waterkit waterkit Public

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

    C++ 41 11

Repositories

Showing 10 of 22 repositories
  • autopath Public

    A Flexible Framework for Protein-Ligand Unbinding Simulations

    forlilab/autopath's past year of commit activity
    Python 1 LGPL-2.1 0 0 0 Updated Oct 29, 2026
  • mcswell_cpp Public
    forlilab/mcswell_cpp's past year of commit activity
    C++ 14 LGPL-2.1 1 1 1 Updated Oct 27, 2026
  • Meeko Public

    Interface for AutoDock, molecule parameterization

    forlilab/Meeko's past year of commit activity
    Python 390 LGPL-2.1 79 37 15 Updated Oct 27, 2026
  • prodyparsers Public

    PDB and mmCIF parsers, and selections from ProDy

    forlilab/prodyparsers's past year of commit activity
    Python 0 0 0 0 Updated Oct 26, 2026
  • molscrub Public

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

    forlilab/molscrub's past year of commit activity
    Python 62 GPL-3.0 13 5 1 Updated Oct 23, 2026
  • cosolvkit-pro Public Forked from forlilab/cosolvkit

    CosolvKit is a versatile tool for cosolvent MD preparation and analysis

    forlilab/cosolvkit-pro's past year of commit activity
    Python 2 LGPL-2.1 11 0 0 Updated Oct 22, 2026
  • Ringtail Public

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

    forlilab/Ringtail's past year of commit activity
    Python 67 LGPL-2.1 8 2 0 Updated Oct 21, 2026
  • AutoDock-Vina Public

    AutoDock Vina

    forlilab/AutoDock-Vina's past year of commit activity
    C++ 1,091 Apache-2.0 320 83 12 Updated Oct 15, 2026
  • CryoXKit Public

    Tool to read crystallographic and cryo-EM files and interpolate density values onto a cartesian grid map

    forlilab/CryoXKit's past year of commit activity
    C++ 5 LGPL-2.1 0 0 0 Updated Sep 24, 2026
  • tautomer-benchmark Public
    forlilab/tautomer-benchmark's past year of commit activity
    Python 0 0 0 0 Updated Aug 17, 2026
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