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Author:
None
License:
MIT License
Copyright (c) 2024 BioinfoMachineLearning
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and associ...
Summary:
Comprehensive benchmarking of protein-ligand structure prediction methods
Latest version:
1.1.0
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
|
posecheck
|
pre-commit
|
prody
|
prolif
|
pydantic
|
pypdb
|
pyyaml
|
rdkit
|
rich
|
rootutils
|
scikit-learn
|
seaborn
|
setuptools
|
spyrmsd
|
tables
|
torch
|
torchmetrics
|
torchvision
|
tqdm
|
wrapt-timeout-decorator
Optional dependencies:
pytest
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