/tools/GEMS

GEMS

camlab-ethz/GEMS

76 stars18 forksPythonAdded February 8, 2026
summary

GEMS is a graph-based deep learning model designed for predicting protein-ligand binding affinities. It integrates language model embeddings to enhance generalization and includes a refined dataset to minimize data leakage, making it a valuable resource for molecular property prediction.

description

Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models

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