Popular repositories Loading

1. rspgrp_summit rspgrp_summit Public

   Forked from patonlab/paton_group_workflows

   A collection of submission scripts and other automation tools for use on the Summit HPC cluster by members of the Paton group

   Python

2. GoodVibes GoodVibes Public

   Forked from patonlab/GoodVibes

   Calculate quasi-harmonic free energies from Gaussian output files with temperature and other corrections

   Python

3. Bpop Bpop Public

   A very simple Boltzmann population calculator for user supplied energy values

   Python