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Dependencies
- ase
- deepdiff ==8.5.0
- fastmcp
- globus-sdk
- grandalf ==0.8
- ipython-genutils ==0.2.0
- langchain
- langchain-anthropic
- langchain-experimental
- langchain-google-genai
- langchain-groq
- langchain-mcp-adapters
- langchain-ollama
- langchain-openai
- langgraph
- langgraph-prebuilt
- langsmith ==0.3.45
- mace-torch
- mcp
- numexpr ==2.11.0
- numpy ==2.2.6
- pandas ==2.2.3
- pubchempy ==1.0.5
- pydantic
- pymatgen
- pyppeteer ==2.0.0
- pytest ==8.4.1
- pytest-asyncio
- rdkit
- rich ==14.1.0
- stmol ==0.0.9
- streamlit ==1.48.1
- toml ==0.10.2
7 optional dependencies
- e3nn[uma]
- fairchem-core[uma]
- ipython-genutils[ui]
- parsl[parsl]
- stmol[ui]
- streamlit[ui]
- tblite[calculators]