litellm>=1.80.16
atomai>=0.8.1
edison-client>=0.7.6
gdown>=5.2.0
faiss-cpu>=1.12.0
pymupdf>=1.26.5
pdfplumber>=0.11.7
pandas>=2.3.3
openpyxl>=3.1.5
tabulate>=0.9.0
botorch>=0.16.1
lmfit>=1.3.4
mcp>=1.0.0

[all]
scilink[sim]
scilink[ui]

[sim]
ase>=0.8.5
aimsgb>=1.1.1
atomate2>=0.0.21
mdanalysis>=2.9.0

[ui]
streamlit>=1.37.0
