Downloads in the 30 and 7 days to October 10, 2026. Refreshed weekly.
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Dependencies
- ase >=3.29.0
- deepagents ==0.7.5
- fastmcp ==3.4.4
- globus-sdk
- grandalf ==0.8
- langchain ==1.4.0
- langchain-anthropic ==1.5.4
- langchain-core ==1.6.1
- langchain-google-genai ==4.3.1
- langchain-groq ==1.1.3
- langchain-mcp-adapters ==0.3.0
- langchain-ollama ==1.1.0
- langchain-openai ==1.4.1
- langgraph ==1.2.11
- langgraph-checkpoint ==4.2.0
- langgraph-checkpoint-sqlite ==3.1.1
- langgraph-prebuilt ==1.1.0
- langgraph-sdk ==0.4.4
- langsmith ==0.10.10
- mace-torch >=0.3.16
- mcp ==1.28.1
- numexpr ==2.11.0
- numpy ==2.2.6
- pandas ==2.2.3
- plotly
- pubchempy ==1.0.5
- py3dmol
- pydantic ==2.13.4
- pymatgen
- pytest ==9.0.3
- pytest-asyncio
- rdkit
- rich ==14.1.0
- streamlit ==1.54.0
- toml ==0.10.2
24 optional dependencies
-
academy-py[academy]extra == "academy"
-
decimer>=2.8[ocsr]extra == "ocsr"
-
e3nn>=0.5[uma]extra == "uma"
-
ensemble-launcher[ensemble-launcher]extra == "ensemble-launcher"
-
fairchem-core==2.3.0[uma]extra == "uma"
-
faiss-cpu>=1.7.4[rag]extra == "rag"
-
globus-compute-sdk[globus-compute]extra == "globus-compute"
-
httpx[academy]extra == "academy"
-
langchain-huggingface[rag]extra == "rag"
-
langchain-text-splitters[rag]extra == "rag"
-
meeko[docking]extra == "docking"
-
mp-api[xanes]python_version >= "3.11" and extra == "xanes"
-
openai-codex==0.144.4[codex]extra == "codex"
-
parsl[xanes]extra == "xanes"
-
parsl[parsl]extra == "parsl"
-
plotly[ui]extra == "ui"
-
py3dmol[ui]extra == "ui"
-
pymupdf>=1.24.0[rag]extra == "rag"
-
quickjs==1.19.4[test]extra == "test"
-
redis[academy]extra == "academy"
-
sentence-transformers>=2.2.2[rag]extra == "rag"
-
streamlit[ui]extra == "ui"
-
tblite==0.4.0[calculators](python_version < "3.13" or platform_system != "Darwin") and extra == "calculators"
-
timm<1.1,>=1.0[ocsr]extra == "ocsr"