Interformer: An Interaction-Aware Model for Protein-Ligand Docking and Affinity Prediction

The code, dataset, and model weights are described in the paper "Interformer: An Interaction-Aware Model for Protein-Ligand Docking and Affinity Prediction."

experiment_results.zip: contains generated results that can reproduce the result from the reported paper.

benchmark.zip: contains docking and affinity input data of the interformer. You can use the source code to make predictions and reproduce the number of the reported paper.

checkpoints.zip: contains one weight for the Energy and four PoseScore and Affinity models.

source_code_1.0.zip: contains the initial version of the source code.

You can also find the newest version of the source code at https://github.com/tencent-ailab/Interformer