ase
rdkit
langgraph>=0.3
langchain-openai>=0.2.12
langchain-ollama>=0.2.1
langchain-anthropic>=0.3.13
pydantic
pandas
pubchempy>=1.0.4
pyppeteer
numpy>=2
langchain-experimental>=0.3.4
numexpr
tblite>=0.4.0
pytest
deepdiff
pymatgen
mace-torch>=0.3.13
streamlit
stmol
ipython-genutils

[ui]
streamlit
stmol
ipython-genutils

[uma]
fairchem-core==2.3.0
e3nn>=0.5
