streamlit>=1.43.0
plotly
numpy
scipy
ase==3.28.0
torch==2.6.0
pymatgen>=2025.1.9
bokeh
bokeh_sampledata
statsmodels==0.14.2
prefect==3.6.0
loguru==0.7.3
# py3Dmol==2.0.0.post2
# stmol==0.0.9
