| """AmberPrep: MD simulation pipeline with AMBER, ESMFold, docking, and PLUMED.""" | |
| __version__ = "0.1.0" | |
| __author__ = "Hemant Nagar" | |
| __email__ = "hn533621@ohio.edu" | |
| # Expose key components for programmatic use | |
| from amberprep.app import app | |
| __all__ = ["app", "__version__"] | |