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GitHub / carlesperez94 / frag_pele

FragPELE, a new tool for in silico hit-to-lead drug design, capable of growing a fragment into a core while exploring the protein-ligand conformational space

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/carlesperez94%2Ffrag_pele

Stars: 34
Forks: 12
Open Issues: 5

License: mit
Language: Python
Repo Size: 196 MB
Dependencies: 21

Created: over 6 years ago
Updated: about 1 month ago
Last pushed: almost 3 years ago
Last synced: 22 days ago

Files
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    Readme
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    Dependencies
    requirements.txt pypi
    setup.py pypi