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Author:
None
Summary:
atomate2 is a library of materials science workflows
Latest version:
0.1.5
Required dependencies:
calorine
|
click
|
custodian
|
emmet-core
|
jobflow
|
monty
|
numpy
|
pydantic
|
pydantic-settings
|
pymatgen
|
pymongo
|
pyyaml
|
tblite
|
tensorflow
|
tensorflow-cpu
|
torch-sim-atomistic
Optional dependencies:
abipy
|
amset
|
ase
|
atomate2
|
cclib
|
chgnet
|
deepmd-kit
|
dscribe
|
fireworks
|
ijson
|
lobsterpy
|
mace-torch
|
matgl
|
mdanalysis
|
monty
|
mp-api
|
nequip
|
nequip-allegro
|
netcdf4
|
numba
|
numpy
|
openmm
|
openmm-mdanalysis-reporter
|
phonopy
|
pydash
|
pymatgen
|
pymatgen-analysis-defects
|
pymatgen-analysis-diffusion
|
pymatgen-io-aims
|
python-ulid
|
quippy-ase
|
seekpath
|
sevenn
|
torch-dftd
|
upet
|
wandb
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