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Author:
None
License:
MIT
Summary:
Crystalyse v1.0 - Intelligent Scientific AI Agent for Inorganic Materials Design
Latest version:
1.0.1
Required dependencies:
ase
|
asyncio
|
chemeleon-dng
|
click
|
fastapi
|
fastmcp
|
httpx
|
mace-torch
|
numpy
|
openai
|
openai-agents
|
pandas
|
prompt-toolkit
|
pydantic
|
pymatgen
|
python-dotenv
|
python-mcp
|
pyyaml
|
requests
|
rich
|
scipy
|
smact
|
starlette
|
toml
|
torch
|
tqdm
|
typer
|
typing-extensions
|
uvicorn
|
websockets
Optional dependencies:
build
|
crystalyse
|
kaleido
|
matplotlib
|
mypy
|
plotly
|
py3dmol
|
pymatviz
|
pytest
|
pytest-asyncio
|
pytest-cov
|
pytest-mock
|
ruff
|
seaborn
|
twine
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