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nvmolkit

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nvMolKit is a CUDA-backed python library for accelerating common RDKit molecular operations

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::nvmolkit

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Description

nvMolKit is a CUDA-backed python library for accelerating common RDKit molecular operations. nvMolKit links to RDKit and nvMolKit operations work on RDKit RDMol objects.

About

Summary

nvMolKit is a CUDA-backed python library for accelerating common RDKit molecular operations

Last Updated

Oct 13, 2026 at 19:45

License

Apache-2.0

Supported Platforms

linux-aarch64
linux-64