numpy
pandas
scipy
tqdm
rich
tabulate
PyYAML
rapidfuzz

[all]
reaxkit[engines,graph,io,materials,ml,plot,trajectory,webui]

[engines]
lammps
scm

[graph]
networkx
igraph

[io]
openpyxl
h5py
python-docx
zstandard

[materials]
ase
mp_api
pymatgen

[ml]
dscribe
spacy
scikit-learn

[plot]
matplotlib
seaborn
plotly
imageio

[trajectory]
MDAnalysis
freud-analysis
ovito
pyvoro

[webui]
dash
dash_bootstrap_templates
fastapi
