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Matt Thompson's Projects

.github icon .github

Trying out "default community health" files

andron icon andron

Wrapper around QM method(s) to assign partial charges to molecules

atools_ml icon atools_ml

A collection of routines related to structure-property examination and machine learning.

calculator icon calculator

A simple Python package including a simple calculator class

cassandra icon cassandra

Cassandra is a Monte Carlo package to conduct atomistic simulations.

chemper icon chemper

Repository for Chemical Perception Sampling Tools

commpare icon commpare

Comparing Molecular Mechanics Potential Energies

compchem-typeshed icon compchem-typeshed

An experimental typeshed for distributing type annotations in computational chemistry tools

cookiecutter-cms icon cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

cp2k icon cp2k

Mirror of official svn repository at sourceforge. Synced every 5 minutes.

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