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Forli Lab

Code repository of the ForliLab

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  1. Meeko Meeko Public

    Interfacing RDKit and AutoDock

    Python 171 41

  2. Ringtail Ringtail Public

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

    Python 34 5

  3. waterkit waterkit Public

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

    C++ 22 7

  4. bottchscore bottchscore Public

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

    Python 13 6

  5. scrubber scrubber Public

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

    Python 5 2

  6. cosolvkit cosolvkit Public

    Python 4

Repositories

Showing 9 of 9 repositories
  • 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 34 LGPL-2.1 5 8 0 Updated Jul 12, 2024
  • Meeko Public

    Interfacing RDKit and AutoDock

    forlilab/Meeko’s past year of commit activity
    Python 171 LGPL-2.1 41 29 (1 issue needs help) 9 Updated Jul 8, 2024
  • waterkit Public

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

    forlilab/waterkit’s past year of commit activity
    C++ 22 GPL-3.0 7 8 0 Updated Jul 2, 2024
  • scrubber Public

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

    forlilab/scrubber’s past year of commit activity
    Python 5 GPL-3.0 2 2 1 Updated Jun 4, 2024
  • forlilab/cosolvkit’s past year of commit activity
    Python 4 LGPL-2.1 0 1 1 Updated May 16, 2024
  • forlilab/tutorials’s past year of commit activity
    Python 1 LGPL-2.1 0 0 0 Updated Feb 15, 2024
  • forlilab/git-tutorial’s past year of commit activity
    1 Apache-2.0 0 0 0 Updated Aug 9, 2023
  • CADD Public
    forlilab/CADD’s past year of commit activity
    Python 3 GPL-3.0 2 0 1 Updated Apr 29, 2023
  • 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 Mar 27, 2023

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