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GitHub / sonyahanson / yank

GPU-accelerated calculation of ligand binding affinities in implicit and explicit solvent using alchemical free energy methodologies

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

Fork of choderalab/yank
Stars: 0
Forks: 0
Open Issues: 0

License: lgpl-3.0
Language: Python
Repo Size: 33.5 MB
Dependencies: 18

Created: almost 9 years ago
Updated: almost 9 years ago
Last pushed: over 8 years ago
Last synced: 10 months ago

Files
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    Readme
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    Dependencies
    docs/requirements.txt pypi
    docs/themes/sphinx_rtd_theme-0.1.5/requirements.txt pypi
    setup.py pypi