pymatgen==2026.5.4
pymatgen-core==2026.8.30
interfacemaster<1.2,>=1.1.7
scikit-optimize<0.11,>=0.10.2
scikit-learn<2,>=1.3
scipy<2,>=1.11
pandas<3,>=2.0
matplotlib<4,>=3.7
numpy<2.3,>=1.26
ase<4,>=3.22
atomate2<0.2,>=0.1.5
emmet-core<0.88,>=0.87.2
jobflow<0.4,>=0.3.1
jobflow-remote<1.1,>=1.0
pymongo<4.11,>=4.4
qtoolkit<0.2,>=0.1.6
adjustText<2,>=1.3
tqdm<5,>=4.65
mp-api<0.47,>=0.46
pyyaml<7,>=6.0

[web]
fastapi<1,>=0.100
uvicorn[standard]<1,>=0.22
python-multipart<1,>=0.0.6
jinja2<4,>=3.1
plotly<7,>=5.18
