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pypi.org : ensemble-md
A package for setting up, performing, and analyzing molecular dynamics ensembles using GROMACS
Registry
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Source
- Documentation
- JSON
purl: pkg:pypi/ensemble-md
Keywords: molecular mechanics, free energy calculations, advanced sampling, advanced-sampling-methods, drug-design, expanded-ensembles, free-energy-calculations, molecular-dynamics, parallel-computing, protein-simulations, python, replica-exchange, statistical-mechanics
License: MIT
Latest release: 2 months ago
First release: over 1 year ago
Downloads: 78 last month
Stars: 10 on GitHub
Forks: 3 on GitHub
Total Commits: 288
Committers: 2
Average commits per author: 144.0
Development Distribution Score (DDS): 0.007
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Last synced: 26 days ago