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Author:
None
License:
MIT
Summary:
BBB-Nuke: Blood-brain barrier penetration screening pipeline
Latest version:
0.12.1
Required dependencies:
huggingface-hub
|
joblib
|
numpy
|
openpyxl
|
pandas
|
pydantic
|
rdkit
|
scikit-learn
|
torch
|
torch-geometric
|
torch-scatter
|
torch-sparse
Optional dependencies:
aiosqlite
|
alembic
|
arq
|
asyncpg
|
faerun
|
fastapi
|
httpx
|
mcp
|
mhfp
|
plotly
|
pytest
|
pytest-asyncio
|
redis
|
ruff
|
sqlalchemy
|
umap-learn
|
uvicorn
|
weasyprint
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