PyPI page
Author:
Andrew S. Rosen
License:
BSD-3
Summary:
A platform to enable high-throughput, database-driven quantum chemistry and computational materials science
Latest version:
1.6.1
Required dependencies:
ase
|
custodian
|
emmet-core
|
frozendict
|
monty
|
numpy
|
psutil
|
pydantic
|
pydantic-settings
|
pymatgen-core
|
ruamel-yaml
|
typer
Optional dependencies:
atomate2
|
blacken-docs
|
cairosvg
|
dask
|
dask-jobqueue
|
fairchem-core
|
fairchem-data-oc
|
fairchem-data-omat
|
fairchem-data-omol
|
jobflow
|
jobflow-remote
|
matcalc
|
mkdocstrings-python
|
parsl
|
phonopy
|
pillow
|
prefect
|
protobuf
|
pymatgen-analysis-defects
|
pytest
|
pytest-asyncio
|
pytest-cov
|
ray
|
redun
|
rootstock
|
ruff
|
seekpath
|
sella
|
shakenbreak
|
tblite
|
torch-sim-atomistic
|
zensical
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