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Forli Lab

Code repository of the ForliLab

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  1. Meeko Meeko Public

    Interface for AutoDock, molecule parameterization

    Python 212 50

  2. Ringtail Ringtail Public

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

    Python 41 7

  3. waterkit waterkit Public

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

    C++ 28 9

  4. cosolvkit cosolvkit Public

    CosolvKit is a versatile tool for cosolvent MD preparation and analysis

    Python 17 4

  5. bottchscore bottchscore Public

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

    Python 13 6

  6. scrubber scrubber Public

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

    Python 12 5

Repositories

Showing 10 of 10 repositories
  • Meeko Public

    Interface for AutoDock, molecule parameterization

    forlilab/Meeko’s past year of commit activity
    Python 212 LGPL-2.1 50 35 (1 issue needs help) 11 Updated Dec 18, 2024
  • cosolvkit Public

    CosolvKit is a versatile tool for cosolvent MD preparation and analysis

    forlilab/cosolvkit’s past year of commit activity
    Python 17 LGPL-2.1 4 9 (1 issue needs help) 0 Updated Dec 18, 2024
  • 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 41 LGPL-2.1 7 4 0 Updated Dec 12, 2024
  • scrubber Public

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

    forlilab/scrubber’s past year of commit activity
    Python 12 GPL-3.0 5 2 1 Updated Dec 3, 2024
  • tutorials Public
    forlilab/tutorials’s past year of commit activity
    Python 2 LGPL-2.1 1 2 2 Updated Nov 7, 2024
  • 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++ 2 LGPL-2.1 0 0 0 Updated Nov 1, 2024
  • bottchscore Public

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

    forlilab/bottchscore’s past year of commit activity
    Python 13 GPL-3.0 6 0 0 Updated Sep 20, 2024
  • waterkit Public

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

    forlilab/waterkit’s past year of commit activity
    C++ 28 GPL-3.0 9 8 0 Updated Jul 2, 2024
  • git-tutorial Public
    forlilab/git-tutorial’s past year of commit activity
    2 Apache-2.0 0 0 0 Updated Aug 9, 2023
  • CADD Public
    forlilab/CADD’s past year of commit activity
    Python 4 GPL-3.0 3 0 1 Updated Apr 29, 2023

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