Metadata-Version: 2.4
Name: pandadock
Version: 1.3.5
Summary: A GPU-accelerated molecular docking tool for computational drug discovery
Home-page: https://github.com/pritampanda15/PandaDock
Author: Dr. Pritam Kumar Panda
Author-email: pritam@stanford.edu
Project-URL: Bug Tracker, https://github.com/pritampanda15/PandaDock/issues
Project-URL: Documentation, https://github.com/pritampanda15/PandaDock/wiki
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Chemistry
Requires-Python: >=3.7
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: numpy>=1.19.0
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Requires-Dist: requests
Requires-Dist: packaging
Requires-Dist: pandas
Requires-Dist: tabulate
Requires-Dist: tqdm
Provides-Extra: gpu
Requires-Dist: torch>=1.9.0; extra == "gpu"
Provides-Extra: dev
Requires-Dist: pytest>=6.0.0; extra == "dev"
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Requires-Dist: rdkit>=2020.09.1; extra == "rdkit"
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file:README.md
