https://github.com/adicksonlab/csnanalysis

Tools for creating, analyzing and visualizing Conformation Space Networks

Last synced: 16 Jan 2026

https://github.com/adicksonlab/openrxn

A free, open-source tool for modeling chemical reaction networks in Python

compartmental-models gillespie gillespie-algorithm pharmacokinetics reaction-diffusion reactions

Last synced: 16 Jan 2026

https://github.com/adicksonlab/ml4md-jb

Jupyter book and content for "Machine Learning for Molecular Dynamics" course

Last synced: 16 Jan 2026

https://github.com/adicksonlab/mastic

Multi-Atom Structure/Selection Toolkit with Interaction Capabilities

computational-biology computational-chemistry protein-ligand-interactions protein-structure

Last synced: 16 Jan 2026

https://github.com/adicksonlab/mlforce

A PyTorch OpenMM plugin to generate forces for Flexible Topology simulations

Last synced: 16 Jan 2026

https://github.com/adicksonlab/westpa-wexplore

A plugin to run the WExplore algorithm in the WESTPA toolkit

Last synced: 16 Jan 2026

https://github.com/adicksonlab/wepy-analysis

Analysis tools for wepy simulations

Last synced: 16 Jan 2026

https://github.com/adicksonlab/wepy-tests

Last synced: 16 Jan 2026

https://github.com/adicksonlab/jekyll-ion-site

Code to build lab website using jekyll with the "ion" theme

Last synced: 16 Jan 2026

https://github.com/adicksonlab/preprints

Last synced: 16 Jan 2026

https://github.com/adicksonlab/wepy-developer-resources

Resources to support users and developers in the wepy ecosystem

Last synced: 16 Jan 2026

https://github.com/adicksonlab/vmd_inxplot

Collection of scripts for visualizing interactions in VMD

Last synced: 16 Jan 2026

https://github.com/adicksonlab/wepy-activity

This package is for use with Wepy. It can be used to calculate (un)binding free energies from pulling trajectories of Lennard-Jones Pairs. This also serves as an example use of 'activities' with Wepy.

Last synced: 16 Jan 2026