Metadata-Version: 2.2
Name: bioemu
Version: 0.1.0
Summary: Biomolecular emulator
Requires-Python: >=3.10
License-File: LICENSE
License-File: NOTICE.md
Requires-Dist: mdtraj>=1.9.9
Requires-Dist: torch_geometric==2.6.1
Requires-Dist: torch==2.4.0
Requires-Dist: torchvision
Requires-Dist: modelcif==0.7
Requires-Dist: bio>=1.5.9
Requires-Dist: fire==0.7.0
Requires-Dist: huggingface-hub
Requires-Dist: hydra-core
Requires-Dist: dm-tree
Requires-Dist: stackprinter
Requires-Dist: typer
Provides-Extra: dev
Requires-Dist: pytest; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: pre-commit; extra == "dev"
Provides-Extra: md
Requires-Dist: openmm==8.2.0; extra == "md"
Requires-Dist: pdb2pqr==3.4.1; extra == "md"
