anndata>=0.9
numpy
pandas
scipy
pymatgen
ase

[analysis]
scikit-learn
igraph
leidenalg

[batched]
torch-sim-atomistic

[descriptors]
dscribe

[dev]
pytest
build
twine

[matminer]
matminer

[ml]
scikit-learn

[mlip]
mace-torch

[mp]
mp-api>=0.46.2

[multi]
mudata

[plot]
matplotlib
