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Author:
Manas Sharma
License:
MIT
Summary:
A simplistic and efficient pure-python quantum chemistry library from Phys Whiz.
Latest version:
0.2.4
Required dependencies:
joblib
|
llvmlite
|
numba
|
numexpr
|
numgrid
|
numpy
|
opt-einsum
|
psutil
|
threadpoolctl
Optional dependencies:
ase
|
dftd3
|
huggingface-hub
|
torch
|
torch-dftd
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