Skip to content

Navigation Menu

Appearance settings

View all features
- BY COMPANY SIZE
  Enterprises
  Small and medium teams
  Startups
  Nonprofits
- BY USE CASE
  App Modernization
  DevSecOps
  DevOps
  CI/CD
  View all use cases
- BY INDUSTRY
  Healthcare
  Financial services
  Manufacturing
  Government
  View all industries
View all solutions
- EXPLORE BY TOPIC
  AI
  Software Development
  DevOps
  Security
  View all topics
- EXPLORE BY TYPE
  Customer stories
  Events & webinars
  Ebooks & reports
  Business insights
  GitHub Skills
- SUPPORT & SERVICES
  Documentation
  Customer support
  Community forum
  Trust center
  Partners
View all resources
- COMMUNITY
  GitHub SponsorsFund open source developers
- PROGRAMS
  Security Lab
  Maintainer Community
  Accelerator
  GitHub Stars
  Archive Program
- REPOSITORIES
  Topics
  Trending
  Collections
- ENTERPRISE SOLUTIONS
  Enterprise platformAI-powered developer platform
- AVAILABLE ADD-ONS
  GitHub Advanced SecurityEnterprise-grade security features
  Copilot for BusinessEnterprise-grade AI features
  Premium SupportEnterprise-grade 24/7 support
Pricing

Appearance settings

You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.

Dismiss alert

Uh oh!

There was an error while loading. Please reload this page.

Uh oh!

There was an error while loading. Please reload this page.

Open Free Energy

189 followers
https://openfree.energy

Overview
Repositories
Discussions
Projects
Packages
People

More

Overview
Repositories
Discussions
Projects
Packages
People

Open Free Energy

https://openfree.energy/

Pinned Loading

openfeopenfePublic
The Open Free Energy toolkit
Python 323 52
ExampleNotebooksExampleNotebooksPublic
Notebooks demonstrating how to do simple tasks related to free energy calculations.
Jupyter Notebook 69 15
gufegufePublic
core data models of the Open Free Energy ecosystem
Python 44 13
kartografkartografPublic
This package contains tools for setting up hybrid-topology FE calculations
Python 38 7
cinnabarcinnabarPublic
Package for consistent reporting of relative free energy results
Python 42 15
LomapLomapPublic
Alchemical mutation scoring map
Python 45 16

Repositories

Loading

Type

Select type

AllPublicSourcesForksArchivedMirrorsTemplates

Language

Select language

AllC++CSSDockerfileHTMLJupyter NotebookPythonSCSSTypeScript

Sort

Select order

Last updatedNameStars

Showing 10 of 47 repositories

openfe Public
The Open Free Energy toolkit
OpenFreeEnergy/openfe's past year of commit activity
Python 323MIT 52 396 (1 issue needs help) 36 Updated Aug 25, 2026
openfe-benchmarks Public
OpenFreeEnergy/openfe-benchmarks's past year of commit activity
Python 13MIT 2 27 8 Updated Aug 25, 2026
openfe-failure-cases Public
A collection of reproducible openfe protocol failure cases resulting in NaN results.
OpenFreeEnergy/openfe-failure-cases's past year of commit activity
5MIT 0 0 3 Updated Aug 25, 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 0MIT 1 5 2 Updated Aug 25, 2026
openfreeenergy.github.io Public
OpenFreeEnergy/openfreeenergy.github.io's past year of commit activity
HTML 2 3 12 3 Updated Aug 25, 2026
exorcist Public
Daemonless campaign-scale simulation orchestration
OpenFreeEnergy/exorcist's past year of commit activity
Python 2MIT 1 15 6 Updated Aug 21, 2026
gufe Public
core data models of the Open Free Energy ecosystem
OpenFreeEnergy/gufe's past year of commit activity
Python 44MIT 13 113 (1 issue needs help) 18 Updated Aug 21, 2026
pontibus Public
Experimental OpenFE Protocols for Force Field Evaluation
OpenFreeEnergy/pontibus's past year of commit activity
Python 5MIT 3 46 4 Updated Aug 21, 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 69MIT 15 42 6 Updated Aug 19, 2026
alchemiscale-fah Public
protocols and compute service for using alchemiscale with Folding@Home
OpenFreeEnergy/alchemiscale-fah's past year of commit activity
Python 3MIT 0 8 2 Updated Aug 19, 2026

View all repositories

People

Top languages

Loading…

Uh oh!

There was an error while loading. Please reload this page.

Most used topics

Loading…

Uh oh!

There was an error while loading. Please reload this page.

Footer

© 2026 GitHub, Inc.

Footer navigation

Terms
Privacy
Security
Status
Community
Docs
Contact

You can’t perform that action at this time.