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License: MIT License
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Python 99.92%
ml_pose_prediction's Introduction
The impact of cross-docked poses on performance of machine learning classifier for protein-ligand binding pose prediction
folders |
descriptions |
features/ |
The feature files utilized in this study. |
dataset/ |
The datasets utilized in this study. |
models/ |
Some models trained in this study. |
scripts/ |
Some representative scripts. |
example/ |
A demo to use trained models to predict the binding poses of the in-house ligands. |
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