BioScore unifies affinity prediction, pose ranking, docking, and virtual screening for diverse biomolecular complexes in one graph neural network model.
Following GET, basic baselines such as EGNN, TorchMD-Net, and LEFTNet were obtained from their respective open-source codes, and SchNet was implemented using PyTorch Geometric
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BioScore: A Foundational Scoring Function For Diverse Biomolecular Complexes
BioScore unifies affinity prediction, pose ranking, docking, and virtual screening for diverse biomolecular complexes in one graph neural network model.