This package contains tools for setting up hybrid-topology FE calculations
-
Updated
Jul 7, 2026 - Python
#
openfe
Here are 6 public repositories matching this topic...
Algorithms for various Network Layouts and Tooling for planning FE Calculations
-
Updated
Jul 7, 2026 - Jupyter Notebook
Molecular dynamics pre- and post-processing toolkit.
python cheminformatics clustering structural-biology molecular-dynamics pytorch openmm computational-chemistry pca tica rdkit numba free-energy gromacs trajectory-analysis mdtraj cupy jax md-analysis openfe
-
Updated
Jun 5, 2026 - Python
AI-powered story point estimation tool — Java 17, Spring Boot, MySQL, Python ML service via Feign Client.
-
Updated
May 21, 2026 - Java
Alchemical free-energy and FEP workflows for computer-aided drug discovery.
molecular-dynamics computational-chemistry drug-discovery free-energy cadd alchemical-free-energy fep openfe medicinal-chemistry rbfe abfe
-
Updated
Jul 4, 2026 - Python
E-commerce Microservices Ecossistema escalável desenvolvido com Spring Boot. A solução gerencia o fluxo completo de compra: desde a requisição do usuário e criação automática de pedidos até a atualização síncrona/assíncrona do estoque.
-
Updated
Jan 8, 2026 - Java
Improve this page
Add a description, image, and links to the openfe topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the openfe topic, visit your repo's landing page and select "manage topics."