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nvmolkit


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Author: None
Summary: CUDA-backed python library for accelerating common RDKit molecular operations
Latest version: 0.5.1
Required dependencies: numpy | nvidia-cuda-runtime-cu12 | rdkit | torch | triton
Optional dependencies: autodocsumm | jupyter-sphinx | myst-parser | nvidia-sphinx-theme | optuna | pandas | psutil | pytest | ruff | sphinx

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