PyPI page
Author:
Andrius Bernatavicius
License:
MIT License
Copyright (c) 2026 CDDLeiden
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associated document...
Summary:
Package for Docking.
Latest version:
0.1.0
Required dependencies:
dimorphite-dl
|
gemmi
|
ipython
|
matplotlib
|
meeko
|
networkx
|
numpy
|
pandas
|
papyrus-structure-pipeline
|
pebble
|
pyyaml
|
qsprpred
|
rdkit
|
scipy
|
tqdm
Optional dependencies:
docker
|
isort
|
joblib
|
meeko
|
openbabel-wheel
|
pillow
|
plip
|
pre-commit
|
pyarrow
|
pypdb
|
pyqtgraph
|
pytest
|
ruff
|
scikit-learn
|
tensorboard
|
torch
|
torch-geometric
|
vina
|
wandb
|
yapf
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