ML-ready biomolecular data handling package.
Project description
BioMol
BioMol is a molecular data engine that provides PyMOL-like selections and NumPy-style operations, designed for machine learning and large-scale molecular analysis.
For more details, see the documentation.
Installation
BioMol supports Python 3.10 and above.
Install from PyPI
pip install biomol
Install from Source
For development, BioMol uses uv for fast dependency management:
git clone https://github.com/CSSB-SNU/BioMol
cd BioMol
uv sync
For development with all tools (linting, testing, etc.):
uv sync --extra dev
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