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schrodinger / public_binding_free_energy_benchmark

The public versio

Python 46 12 Updated Jun 26, 2023

BrooksResearchGroup-UM / pyCHARMM-Workshop

pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the University of Michigan by Charles Brooks' Group, June 20-24.

Jupyter Notebook 66 10 Updated Jan 20, 2025

RyanLeeHayes / ALF

Adaptive landscape flattening scripts for MSLD

Python 14 6 Updated Jun 10, 2024

leeping / OpenMM-MD

Lee-Ping's general purpose script for running OpenMM molecular dynamics simulations

OpenEdge ABL 27 6 Updated May 6, 2024