https://github.com/redesignscience/alphaspace2

Protein surface topographical mapping tool

jupyter-notebook protein python surface-analysis

Last synced: 05 Jul 2025

https://github.com/redesignscience/cvpack

Useful Collective Variables for OpenMM

collective-variables enhanced-sampling metadynamics molecular-dynamics openmm

Last synced: 04 Oct 2025

https://github.com/redesignscience/foldingathome_adaptive

Scripts to run adaptive sampling on Folding@home

Last synced: 21 Mar 2025

https://github.com/redesignscience/fep-benchmark-public

Last synced: 19 Mar 2026

https://github.com/redesignscience/easytrajh5

Last synced: 21 Mar 2025

https://github.com/redesignscience/rs_install

Installation of company wide packages

Last synced: 14 Sep 2025

https://github.com/redesignscience/badges

Last synced: 04 Jan 2026

https://github.com/redesignscience/rs_public_install

Minimal public installer for first time users

Last synced: 07 May 2026

https://github.com/redesignscience/foldingathome_analysis

Large-scale analysis scripts for Folding@home data

Last synced: 21 Mar 2025

https://github.com/redesignscience/openmm-cpp-forces

Platform-agnostic OpenMM Forces

collective-variables enhanced-sampling molecular-dynamics openmm

Last synced: 21 Mar 2025

https://github.com/redesignscience/foldingathome_setup

Last synced: 21 Mar 2025