pymatgen
interfacemaster
scikit-optimize
scikit-learn
scipy
pandas
matplotlib
numpy
ase
atomate2
jobflow
jobflow-remote
qtoolkit
adjustText
tqdm
mp-api

[mlip]
torch
orb-models
sevenn
deepmd-kit

[web]
fastapi>=0.100
uvicorn[standard]>=0.22
python-multipart>=0.0.6
jinja2>=3.1
plotly>=5.18

[yaml]
pyyaml>=6.0
