Metadata-Version: 2.4
Name: napistu-binding
Version: 0.0.1.dev0
Summary: PyTorch-based toolkit for working with protein and metabolite structures
Home-page: https://github.com/napistu/napistu-binding
Author: Sean Hackett
Author-email: seanmchackett@gmail.com
Classifier: License :: OSI Approved :: MIT License
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3 :: Only
Classifier: Programming Language :: Python :: 3.11
Requires-Python: >=3.11
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: click<9.0.0,>=8.1.0
Requires-Dist: torch>=2.0.0
Requires-Dist: numpy>=1.20.0
Requires-Dist: pandas>=1.3.0
Requires-Dist: pydantic>=2.0.0
Requires-Dist: rich<14.0.0,>=13.0.0
Requires-Dist: scikit-learn>=1.0.0
Requires-Dist: napistu-torch>=0.3.8
Provides-Extra: pyg
Requires-Dist: torch-geometric>=2.4.0; extra == "pyg"
Requires-Dist: torch-sparse>=0.6.17; extra == "pyg"
Requires-Dist: torch-scatter>=2.1.1; extra == "pyg"
Provides-Extra: protein
Requires-Dist: biopython<2.0,>=1.79; extra == "protein"
Requires-Dist: fair-esm<3.0,>=2.0.0; extra == "protein"
Provides-Extra: metabolite
Requires-Dist: rdkit>=2023.0.0; extra == "metabolite"
Provides-Extra: dev
Requires-Dist: black>=22.0.0; extra == "dev"
Requires-Dist: biopython<2.0,>=1.79; extra == "dev"
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Requires-Dist: ruff>=0.1.0; extra == "dev"
Requires-Dist: torch-geometric>=2.4.0; extra == "dev"
Requires-Dist: torch-sparse>=0.6.17; extra == "dev"
Requires-Dist: torch-scatter>=2.1.1; extra == "dev"
Requires-Dist: wandb; extra == "dev"
Provides-Extra: lightning
Requires-Dist: lightning; extra == "lightning"
Requires-Dist: wandb; extra == "lightning"
Dynamic: license-file

# napistu-binding
Creating protein and metabolite binding predictions
