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Author:
Daniel Isler, Lei Zhang, Max van Brenk, Suleyman Er
Summary:
Molten salt simulation package employing universal machine-learned interatomic potentials (uMLIPs)
Latest version:
0.1.6
Required dependencies:
ase
|
myplots
|
numpy
|
scipy
|
tqdm
Optional dependencies:
black
|
chgnet
|
coverage-badge
|
cuequivariance
|
cuequivariance-torch
|
deepmd-kit
|
dftd4
|
eqnorm
|
equflash
|
equiformer-v2
|
equiformer-v3
|
fairchem-core
|
hienet
|
huggingface-hub
|
mace-torch
|
matgl
|
matris
|
mattersim
|
mkdocs-material
|
mkdocstrings
|
msc-alphanet
|
nequip
|
nequix
|
nox
|
orb-models
|
pre-commit
|
pytest
|
pytest-cov
|
requests
|
sevenn
|
tace
|
tensorpotential
|
torch
|
torch-dftd
|
upet
|
uv
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