PyPI page
Author:
Kyle Bystrom
Summary:
CiderPress: DFT Calculations with Machine-Learned XC Functionals
Latest version:
0.5.0
Required dependencies:
ase
|
h5py
|
interpolation
|
numba
|
numpy
|
pyscf
|
pyyaml
|
scikit-learn
|
scipy
|
sympy
Optional dependencies:
dftd4
|
pyscf-dispersion
|
pytest
|
torch
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