Mike Henry

OpenMM

Last released Nov 24, 2025

Python wrapper for OpenMM (a C++ MD package)

kartograf

Last released Oct 8, 2025

Please use conda-forge to install kartograf

signac

Last released Apr 14, 2025

Manage large and heterogeneous data spaces on the file system.

konnektor

Last released Sep 18, 2024

Konnektor is a package for calculating networks.

openmm-cuda

Last released May 10, 2024

None

signac-flow

Last released Mar 26, 2024

Simple workflow management for signac projects.

signac-dashboard

Last released Nov 10, 2023

Visualize data spaces in a web browser.

pdbinf

Last released Mar 21, 2023

Load PDB files into rdkit with nonstandard residues

alibaby-toolkit

Last released Dec 5, 2022

exorcist

Last released Dec 5, 2022

cinnabar

Last released Dec 5, 2022

gufe

Last released Dec 5, 2022

ever-given

Last released Sep 14, 2022

A small wrapper around the docker sdk