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Author:
xTBloom developers
Summary:
Batched GFN1/GFN2-xTB inference through the public C ABI
Latest version:
0.2.3
Required dependencies:
array-api-compat
|
numpy
Optional dependencies:
ase
|
dpdata
|
nvidia-cublas-cu12
|
nvidia-cuda-runtime-cu12
|
nvidia-cusolver-cu12
|
nvidia-cusparse-cu12
|
nvidia-nvjitlink-cu12
|
pytest
|
pytest-cov
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