PyPI page
Home page
Author:
None
License:
MIT License
Copyright (c) 2025 BioinfoMachineLearning
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associ...
Summary:
Comprehensive ensembling of protein-ligand structure and affinity prediction methods
Latest version:
0.4.0
Required dependencies:
beartype
|
biopandas
|
biopython
|
hydra-colorlog
|
hydra-core
|
hydra-optuna-sweeper
|
ipykernel
|
jaxtyping
|
joblib
|
lightning
|
loguru
|
lovely-numpy
|
lovely-tensors
|
meeko
|
numpy
|
omegaconf
|
pandas
|
plotly
|
posebusters
|
pre-commit
|
prody
|
prolif
|
pydantic
|
pypdb
|
pyyaml
|
rdkit
|
rich
|
rootutils
|
scikit-learn
|
seaborn
|
setuptools
|
spyrmsd
|
timeout-decorator
|
torch
|
torchmetrics
|
torchvision
|
tqdm
Optional dependencies:
pytest
Downloads last day:
0
Downloads last week:
37
Downloads last month:
44