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Author:
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License:
MIT License Copyright (c) 2022 Janosh Riebesell Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to ...
Summary:
A benchmark for machine learning energy models on inorganic crystal stability prediction from unrelaxed structures
Latest version:
1.3.1
Required dependencies:
ase
|
matplotlib
|
numpy
|
pandas
|
plotly
|
pymatgen
|
pymatviz
|
scikit-learn
|
scipy
|
seaborn
|
tqdm
|
wandb
Optional dependencies:
alignn
|
chgnet
|
crystal-toolkit
|
gdown
|
jarvis-tools
|
m3gnet
|
mace-torch
|
maml
|
megnet
|
pytest
|
pytest-cov
|
umap-learn
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