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OneScience-Group
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TargetDiff
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OneScience
affinity prediction
molecule generation
License:
mit
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data_preparation
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property_prediction
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__init__.py
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batch_sample_diffusion.sh
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dock_baseline.py
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dock_testset.py
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evaluate_diffusion.py
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evaluate_from_meta.py
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inference.sh
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likelihood_est_diffusion.py
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sample_diffusion.py
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sample_for_pocket.py
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train_diffusion.py
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train_diffusion.sh
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train_prop.sh
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