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  1. openfe openfe Public

    The Open Free Energy toolkit

    Python 258 40

  2. ExampleNotebooks ExampleNotebooks Public

    Notebooks demonstrating how to do simple tasks related to free energy calculations.

    Jupyter Notebook 64 13

  3. gufe gufe Public

    core data models of the Open Free Energy ecosystem

    Python 40 12

  4. kartograf kartograf Public

    This package contains tools for setting up hybrid-topology FE calculations

    Python 38 7

  5. cinnabar cinnabar Public

    Package for consistent reporting of relative free energy results

    Python 41 14

  6. Lomap Lomap Public

    Alchemical mutation scoring map

    Python 41 16

Repositories

Showing 10 of 45 repositories
  • openfe Public

    The Open Free Energy toolkit

    OpenFreeEnergy/openfe’s past year of commit activity
    Python 258 MIT 40 349 (1 issue needs help) 36 Updated Mar 9, 2026
  • ExampleNotebooks Public

    Notebooks demonstrating how to do simple tasks related to free energy calculations.

    OpenFreeEnergy/ExampleNotebooks’s past year of commit activity
    Jupyter Notebook 64 MIT 13 43 7 Updated Mar 9, 2026
  • stratocaster Public
    OpenFreeEnergy/stratocaster’s past year of commit activity
    Python 0 MIT 1 9 2 Updated Mar 9, 2026
  • gufe Public

    core data models of the Open Free Energy ecosystem

    OpenFreeEnergy/gufe’s past year of commit activity
    Python 40 MIT 12 117 (1 issue needs help) 24 Updated Mar 9, 2026
  • OpenFreeEnergy/openfe-benchmarks’s past year of commit activity
    Python 11 MIT 1 47 3 Updated Mar 9, 2026
  • Lomap Public

    Alchemical mutation scoring map

    OpenFreeEnergy/Lomap’s past year of commit activity
    Python 41 MIT 16 44 0 Updated Mar 9, 2026
  • alchemiscale.org-deployment Public

    deployment versioning and artifact generation for alchemiscale.org alchemiscale instances

    OpenFreeEnergy/alchemiscale.org-deployment’s past year of commit activity
    Dockerfile 0 MIT 0 5 0 Updated Mar 9, 2026
  • pontibus Public

    Experimental OpenFE Protocols for Force Field Evaluation

    OpenFreeEnergy/pontibus’s past year of commit activity
    Python 5 MIT 3 71 6 Updated Mar 8, 2026
  • OpenFreeEnergy/openfreeenergy.github.io’s past year of commit activity
    HTML 1 3 13 3 Updated Mar 6, 2026
  • konnektor Public

    Algorithms for various Network Layouts and Tooling for planning FE Calculations

    OpenFreeEnergy/konnektor’s past year of commit activity
    Jupyter Notebook 21 MIT 5 26 5 Updated Mar 5, 2026

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