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.
BioMol supports Python 3.10 and above.
pip install biomolFor development, BioMol uses uv for fast dependency management:
git clone https://github.com/CSSB-SNU/BioMol
cd BioMol
uv syncFor development with all tools (linting, testing, etc.):
uv sync --extra dev