`qc-cugbasis`

High performance CUDA/Python library for computing quantum chemistry density-based descriptors for larger systems using GPUs.

Ecosystem
pypi.org

Latest Release
1.0.3
12 months ago

Versions
9

Downloads
12 last month

Readme

Keywords
cuda molecular basis functions high-performance computing quantum chemistry atoms-in-molecules computational-chemistry conceptual-dft electron-density gpu python qtaim quantum quantum-chemistry theoretical-chemistry

Stars	20 on GitHub
Forks	4 on GitHub

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