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Author:
Enes Kelestemur
Summary:
Hit Expansion to Advanced Leads Using Enumerated Reactions
Latest version:
0.2.1
Required dependencies:
joblib
|
numpy
|
pandas
|
prop-profiler
|
python-dotenv
|
rdkit
|
tqdm
Optional dependencies:
baybe
|
celery
|
fastapi
|
httpx
|
nbconvert
|
nbformat
|
pygad
|
pytest
|
pytest-cov
|
ruff
|
uvicorn
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7-day smoothing