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0.1.3 torch_pgn-0.1.3-py3-none-any.whl

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Project: torch-pgn
Version: 0.1.3
Filename: torch_pgn-0.1.3-py3-none-any.whl
Download: [link]
Size: 56600
MD5: c32e94eee58f80b9b536ddcd8ba79293
SHA256: ef372d5668cf5db27bd71c9b665ac5c45ac1149969f270408e15a2439eeafa46
Uploaded: 2024-09-10 00:08:32 +0000

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METADATA · WHEEL · RECORD · top_level.txt

METADATA

Metadata-Version: 2.1
Name: torch-pgn
Version: 0.1.3
Summary: Proximity Graph Networks: Predicting ligand affinity with Message Passing Neural Networks
Author: Keiser Lab
Author-Email: keiser[at]keiserlab.org
Home-Page: https://github.com/keiserlab/torch_pgn
License: MIT
Keywords: chemistry,machine learning,affinity prediction,message passing neural network,graph neural network
Classifier: Programming Language :: Python :: 3.7
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Requires-Python: >3.6,<3.8
Requires-Dist: torch (>=1.7.0)
Requires-Dist: torch-geometric (>=1.6.3)
Requires-Dist: networkx (>=2.5)
Requires-Dist: typed-argument-parser (==1.6.1)
Requires-Dist: pandas (==1.1.5)
Requires-Dist: rdkit (>=2020.09.3)
Requires-Dist: numpy (<=1.21.6,>=1.19.2)
Requires-Dist: tqdm (>=4.54.1)
Requires-Dist: tensorboard (>2.0)
Requires-Dist: scipy (<1.7)
Requires-Dist: scikit-learn (>=0.23.2)
Requires-Dist: hyperopt (>=0.2.5)
Requires-Dist: sympy (>=1.10.1)
Requires-Dist: optuna (>=3.6.1)
Requires-Dist: matplotlib (>=3.0.0)
Requires-Dist: six (>=1.0.0)
Requires-Dist: oddt (==0.7)
Description-Content-Type: text/markdown
License-File: LICENSE
[Description omitted; length: 1327 characters]

WHEEL

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torch_pgn-0.1.3.dist-info/RECORD — —

top_level.txt

torch_pgn