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conda-forge.org : qubekit
QUBEKit is a Python based force field parameter derivation toolkit. Our aims are to allow users to quickly derive molecular mechanics parameters directly from quantum mechanical calculations.
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Source
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purl: pkg:conda/qubekit
Keywords: bioinformatics, computational-chemistry, quantum-chemistry
License: MIT
Latest release: about 2 years ago
First release: about 4 years ago
Stars: 76 on GitHub
Forks: 25 on GitHub
See more repository details: repos.ecosyste.ms
Last synced: 15 days ago