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Author:
None
License:
BSD-3
Summary:
A platform to enable high-throughput, database-driven quantum chemistry and computational materials science
Latest version:
1.1.1
Required dependencies:
ase
|
custodian
|
emmet-core
|
frozendict
|
monty
|
numpy
|
parsl
|
psutil
|
pydantic
|
pydantic-settings
|
pymatgen
|
ruamel.yaml
|
tblite
|
typer
Optional dependencies:
atomate2
|
blacken-docs
|
cairosvg
|
dask
|
dask-jobqueue
|
fairchem-core
|
fairchem-data-oc
|
fairchem-data-omat
|
jobflow
|
jobflow-remote
|
mace-models
|
mace-torch
|
matgl
|
mkdocs-gen-files
|
mkdocs-literate-nav
|
mkdocs-material
|
mkdocstrings-python
|
newtonnet
|
numpy
|
orb-models
|
phonopy
|
pillow
|
prefect
|
pymatgen-analysis-defects
|
pytest
|
pytest-asyncio
|
pytest-cov
|
redun
|
ruff
|
seekpath
|
sella
|
sevenn
|
shakenbreak
|
torch-sim-atomistic
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