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Author:
None
License:
Apache-2.0
Summary:
GPU-accelerated virtual screening CLI — powered by Kaggle GPUs
Latest version:
1.15.0
Required dependencies:
gemmi
|
jinja2
|
kaggle
|
matplotlib
|
meeko
|
openpyxl
|
pdbfixer
|
py3dmol
|
questionary
|
rdkit
|
requests
|
rich
|
scipy
|
textual
|
tomli-w
|
typer
Optional dependencies:
black
|
gypsum-dl
|
mdanalysis
|
pdb2pqr
|
posebusters
|
prolif
|
propka
|
pytest
|
pytest-asyncio
|
pytest-cov
|
ruff
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