Xmvb

Xiamen Valence Bond (XMVB) is a valence bond (VB) theory based quantum chemistry program for performing electronic structure calculations

Perturbo

PERTURBO is an open source software to compute from first principles the scattering processes between charge carriers (electrons and holes) and phonons, defects, and photons in solid state materials, including metals, semiconductors, oxides, and insulators.

Vep

Variant Effect Predictor

PySCF

Open-source collection of electronic structure modules powered by Python.

OpenMMPol

Open-source library to interface quantum chemical software with atomistic polarizable embedding.

Ams

Amsterdam Modelling Suite- computational chemistry software for cheistry and materials science research.

ThermoPW

Fortran driver for the parallel and/or automatic computation of materials properties that uses Quantum ESPRESSO (QE) routines as the underlying engine.

Snakemake

Snakemake is an MIT-licensed workflow management system.

Openjdk

The free and opensource java implementation

Jube

The Juelich benchmarking environment (JUBE) provides a script based

framework to easily create benchmark sets, run those sets on different

computer systems and evaluate the results.