PyPI page
Author:
Elliott Kasoar, Patrick Austin, Harvey Devereux, Kieran Harris, David Mason, Jacob Wilkins, Federica Zanca, Alin M. Elena
Summary:
Tools for machine learnt interatomic potentials
Latest version:
0.9.8
Required dependencies:
ase
|
codecarbon
|
numpy
|
phonopy
|
pymatgen
|
pyyaml
|
rich
|
seekpath
|
spglib
|
typer
|
typer-config
Optional dependencies:
chgnet
|
deepmd-kit
|
fairchem-core
|
graph-longrange
|
janus-core
|
mace-torch
|
mattersim
|
nequip
|
orb-models
|
plumed
|
sevenn
|
tensorpotential
|
torch-dftd
|
upet
|
weas-widget
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