PyPI page
Summary:
Hierarchical Evaluation of Drug GEnerators tHrOugh riGorous filtration
Latest version:
1.1.45
Required dependencies:
click
|
datamol
|
jinja2
|
matplotlib
|
medchem
|
mols2grid
|
numpy
|
pandas
|
plotly
|
posecheck-fast
|
prolif
|
pyyaml
|
rdkit
|
rich
|
seaborn
|
syba
|
typer
|
xgboost
Optional dependencies:
aizynthfinder
|
mypy
|
nvidia-cublas-cu12
|
nvidia-cuda-runtime-cu12
|
nvidia-cufft-cu12
|
nvidia-cusolver-cu12
|
nvidia-cusparse-cu12
|
pyright
|
pytest
|
pytest-cov
|
ruff
|
shepherd-score
|
torch
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