13 projects
openpathsampling
A Python package for path sampling simulations
openpathsampling-cli
Command line tool for OpenPathSampling
eshgham
A dashboard to check the status of your neglected GitHub Actions Workflows.
kartograf
Kartograf is a package for mapping geometrically atoms of two molecules. (like you need it with hybrid topology)
autorelease
Tools to keep the release process clean.
ticgithub
Use GitHub as a ticketing system for shared GMail
plugcli
Plugin based CLI framework built on click
pdbinf
Load PDB files into rdkit with nonstandard residues
gufe
ghcontribs
"Load and track contributions on GitHub"
fabulous-paths
Tools for integrating OpenPathSampling and FABULOUS
codemodel
Advanced metaprogramming tools
contact-map
Contact maps based on MDTraj
