Force fields produced by the Open Force Field Initiative
☆185May 29, 2026Updated last week
Alternatives and similar repositories for openff-forcefields
Users that are interested in openff-forcefields are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation avai…☆394Updated this week
- Automated tools for the generation of bespoke SMIRNOFF format parameters for individual molecules.☆78Updated this week
- Automated tools for submitting molecules to QCFractal☆26May 14, 2026Updated 3 weeks ago
- A project (and object) for storing, manipulating, and converting molecular mechanics data.☆93Updated this week
- CHARMM and AMBER forcefields for OpenMM (with small molecule support)☆370Apr 27, 2026Updated last month
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Transferable Double Exponential non-bonded potential for condensed phase simulations of small molecules☆25Feb 4, 2026Updated 4 months ago
- A physical property evaluation toolkit from the Open Forcefield Consortium.☆59Jun 1, 2026Updated last week
- Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196☆271Apr 16, 2026Updated last month
- A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.☆327Jan 7, 2026Updated 5 months ago
- An automated framework for generating optimized partial charges for molecules☆39May 19, 2026Updated 2 weeks ago
- Optimize classical force field parameters against reference data☆12May 29, 2026Updated last week
- Flexible storage of chemical topology for molecular simulation☆70Updated this week
- Package for consistent reporting of relative free energy results☆42Updated this week
- core data models of the Open Free Energy ecosystem☆41Updated this week
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- An interoperable Python framework for biomolecular simulation.☆163Jun 1, 2026Updated last week
- OpenFF NAGL