Ecosyste.ms: Packages
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conda-forge.org : perses
Experiments with expanded ensemble simulation to explore chemical and mutational space
Registry
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Source
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purl: pkg:conda/perses
Keywords: expanded-ensembles, free-energy-perturbation, molecular-design, molecular-dynamics, openmm, python, relative-free-energy, simulation
License: MIT
Latest release: almost 2 years ago
First release: over 3 years ago
Dependent repositories: 3
Stars: 126 on GitHub
Forks: 38 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 8 days ago