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pypi.org : mddatasetbuilder
A script to generate molecular dynamics (MD) datasets for machine learning from given LAMMPS trajectories automatically.
Registry
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Source
- Documentation
- JSON
purl: pkg:pypi/mddatasetbuilder
Keywords: dataset, molecular dynamics, chemistry, md, molecular-dynamics, neural-network, python
License: Other
Latest release: 9 months ago
First release: over 5 years ago
Dependent repositories: 1
Downloads: 109 last month
Stars: 36 on GitHub
Forks: 11 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 12 days ago