#

openfe

Here are 2 public repositories matching this topic...

OpenFreeEnergy / kartograf

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

python free-energy-calculations hybrid-topology openfe atom-mapping

Updated Nov 4, 2024
Python

OpenFreeEnergy / konnektor

Algorithms for various Network Layouts and Tooling for planning FE Calculations

python free-energy-calculations network-planning openfe

Updated Oct 30, 2024
Jupyter Notebook

Improve this page

Add a description, image, and links to the openfe topic page so that developers can more easily learn about it.

Curate this topic

Add this topic to your repo

To associate your repository with the openfe topic, visit your repo's landing page and select "manage topics."