PyPI page
Author:
Elliott Kasoar, Joseph Hart, Ilyes Batatia, Alin M. Elena, Gábor Csányi
Summary:
ML Performance and Extrapolation Guide
Latest version:
0.6.1
Required dependencies:
ase
|
boto3
|
dash
|
janus-core
|
kaleido
|
matcalc
|
matminer
|
mdanalysis
|
mlipx
|
molify
|
numpy
|
openpyxl
|
plotly
|
scikit-learn
|
scipy
|
tqdm
|
typer
Optional dependencies:
asemolec
|
chgnet
|
cuequivariance
|
cuequivariance-torch
|
deepmd-kit
|
fairchem-core
|
graph-longrange
|
mace-torch
|
mattersim
|
mlipaudit
|
orb-models
|
sevenn
|
simpoly
|
tensorpotential
|
torch-dftd
|
upet
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