pymatgen<2027,>=2024.5
interfacemaster
scikit-optimize
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
jobflow
jobflow-remote
qtoolkit
adjustText
tqdm<5,>=4.65
mp-api
pyyaml<7,>=6.0

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