PyPI page
Author:
Sefer Bora Lisesivdin, Beyza Sarikavak-Lisesivdin
License:
MIT
Summary:
Nanoworks is a unified, high-level Python orchestrator for conducting DFT, MD and ML calculations
Latest version:
26.8.0
Required dependencies:
ase
|
docutils
|
elastic
|
gpaw
|
pandas
|
phonopy
|
pymongo
|
pyrapl
|
requests
|
setuptools-scm
|
spglib
Optional dependencies:
asap3
|
chgnet
|
cython
|
kimpy
|
mace-torch
|
sevenn
|
torch
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