GEMS: GNN Framework For Efficient Protein-Ligand Binding Affinity Prediction Through Robust Data Filtering and Language Model Integration
收藏NIAID Data Ecosystem2026-05-02 收录
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For fast reproduction of our results, we provide PyTorch datasets of precomputed interaction graphs for the entire PDBbind database on Zenodo. To enable quick establishment of leakage-free evaluation setups with PDBbind, we also provide pairwise similarity matrices for the entire PDBbind dataset on Zenodo.
创建时间：
2024-12-08
