An open-source ML pipeline development platform

A Toolbox for Post-Processing Quantum Chemical Wavefunction Data

This plugin for Vim enable an auto-close chars feature for you. For instance if you type an '(', ``autoclose`` will automatically insert a ')' and put the cursor between than.

High-throughput analyzer/visualizer of quantum chemistry calculations

Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.

Vim configuration

OpenMM is a toolkit for molecular simulation using high performance GPU code.

Systematic force field optimization.