PyPI page
Home page
Author:
Thang Pham, Murat Keçeli, Aditya Tanikanti
Summary:
Agentic AI for computational chemistry workflows.
Latest version:
0.7.0
Required dependencies:
ase
|
deepagents
|
fastmcp
|
globus-sdk
|
grandalf
|
langchain
|
langchain-anthropic
|
langchain-core
|
langchain-google-genai
|
langchain-groq
|
langchain-mcp-adapters
|
langchain-ollama
|
langchain-openai
|
langgraph
|
langgraph-checkpoint
|
langgraph-checkpoint-sqlite
|
langgraph-prebuilt
|
langgraph-sdk
|
langsmith
|
mace-torch
|
mcp
|
numexpr
|
numpy
|
pandas
|
plotly
|
pubchempy
|
py3dmol
|
pydantic
|
pymatgen
|
pytest
|
pytest-asyncio
|
rdkit
|
rich
|
streamlit
|
toml
Optional dependencies:
academy-py
|
decimer
|
e3nn
|
ensemble-launcher
|
fairchem-core
|
faiss-cpu
|
globus-compute-sdk
|
httpx
|
langchain-huggingface
|
langchain-text-splitters
|
meeko
|
mp-api
|
openai-codex
|
parsl
|
plotly
|
py3dmol
|
pymupdf
|
quickjs
|
redis
|
sentence-transformers
|
streamlit
|
tblite
|
timm
Downloads last day:
2
Downloads last week:
23
Downloads last month:
204
7-day smoothing