#

rbfe

Here are 2 public repositories matching this topic...

budimir-ilic / alchemical-free-energy-cadd

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

sheenam1509 / self-rbfe

Input files for self-rbfe

enhanced-sampling alchemical-free-energy-calculations metadynamics-simulations rbfe conformational-sampling relative-binding alchemical-transfer-method

Updated Oct 19, 2023
R

Improve this page

Add a description, image, and links to the rbfe 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 rbfe topic, visit your repo's landing page and select "manage topics."