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streamlit>=1.43.0 plotly numpy scipy ase==3.23.0 torch==2.2.0 pymatgen>=2025.1.9 bokeh bokeh_sampledata statsmodels==0.14.2 prefect==3.2.13 loguru==0.7.3 # py3Dmol==2.0.0.post2 # stmol==0.0.9 |