Skip to content
@openforcefield

Open Force Field Initiative

An open source, open science, and open data approach to better force fields
README.md

Pinned Loading

  1. openff-toolkit openff-toolkit Public

    The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at http://open-forcefield-toolkit.readthedocs.io

    Python 371 100

  2. openff-forcefields openff-forcefields Public

    Force fields produced by the Open Force Field Initiative

    Python 171 26

  3. openff-bespokefit openff-bespokefit Public

    Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.

    Python 71 10

  4. openff-interchange openff-interchange Public

    A project (and object) for storing, manipulating, and converting molecular mechanics data.

    Python 83 25

  5. openff-evaluator openff-evaluator Public

    A physical property evaluation toolkit from the Open Forcefield Consortium.

    Python 57 21

  6. openff-recharge openff-recharge Public

    An automated framework for generating optimized partial charges for molecules

    Python 39 7

Repositories

Showing 10 of 87 repositories
  • back-to-school-jen Public

    Jen's project on fitting bonds and angles with SMEE

    openforcefield/back-to-school-jen’s past year of commit activity
    Python 2 MIT 0 9 1 Updated Dec 10, 2025
  • openforcefield.org Public

    Hugo website source for openforcefield.org

    openforcefield/openforcefield.org’s past year of commit activity
    JavaScript 7 14 19 2 Updated Dec 10, 2025
  • yammbs Public

    Internal tool for benchmarking force fields

    openforcefield/yammbs’s past year of commit activity
    Jupyter Notebook 6 MIT 2 28 10 Updated Dec 10, 2025
  • openff-utilities Public

    A collection of miscellaneous utility functions used throughout the OpenFF stack

    openforcefield/openff-utilities’s past year of commit activity
    Python 1 MIT 4 5 1 Updated Dec 10, 2025
  • openff-units Public

    A common units module for the OpenFF software stack

    openforcefield/openff-units’s past year of commit activity
    Python 9 MIT 4 6 7 Updated Dec 10, 2025
  • polymer_examples Public

    Example polymers for testing.

    openforcefield/polymer_examples’s past year of commit activity
    Jupyter Notebook 9 MIT 3 1 0 Updated Dec 10, 2025
  • ptm_prototype Public
    openforcefield/ptm_prototype’s past year of commit activity
    Jupyter Notebook 20 MIT 0 4 0 Updated Dec 10, 2025
  • openff-docs Public

    Documentation for the Open Force Field ecosystem

    openforcefield/openff-docs’s past year of commit activity
    Jupyter Notebook 0 MIT 2 17 1 Updated Dec 10, 2025
  • anything-goes Public

    A repo for anything users/developers find interesting and want to share

    openforcefield/anything-goes’s past year of commit activity
    Jupyter Notebook 10 MIT 2 1 1 Updated Dec 9, 2025
  • openff-pablo Public

    New implementation of `Topology.from_pdb`

    openforcefield/openff-pablo’s past year of commit activity
    Python 11 MIT 2 31 7 Updated Dec 9, 2025
View all repositories