`perses`

Experiments with expanded ensemble simulation to explore chemical and mutational space

Ecosystem
conda-forge.org

Latest Release
0.10.1
over 4 years ago

Versions
9

Downloads
80,758 total

Dependent Repos
3

Readme

PURL	`pkg:conda/perses?repository_url=https://conda-forge.org` spec
License	MIT
First Release	almost 6 years ago
Last Synced	3 months ago

Keywords
expanded-ensembles free-energy-perturbation molecular-design molecular-dynamics openmm python relative-free-energy simulation

commits.ecosyste.ms

repos.ecosyste.ms

ecosyste.ms