litellm>=1.80.16
atomai>=0.8.1
edison-client>=0.7.6
newrelic>=12.0.0
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
h5py>=3.10
nexusformat>=2.0
pyyaml>=6.0

[all]
scilink[sim]
scilink[ui]
scilink[structure-matching]

[sim]
ase>=0.8.5
aimsgb>=1.1.1
atomate2>=0.0.21
mdanalysis>=2.9.0
paramiko>=3.0.0

[structure-matching]
pymatgen>=2024.0
mp-api>=0.45.0
pulp>=2.7.0
pyarrow>=14.0

[ui]
streamlit>=1.37.0
