Ecosyste.ms: Packages

An open API service providing package, version and dependency metadata of many open source software ecosystems and registries.

conda-forge.org "relative-free-energy" keyword

perses 0.10.1
Experiments with expanded ensemble simulation to explore chemical and mutational space
9 versions - Latest release: almost 2 years ago - 3 dependent repositories - 126 stars on GitHub
Related Keywords
expanded-ensembles 1 free-energy-perturbation 1 molecular-design 1 molecular-dynamics 1 openmm 1 python 1 simulation 1