/tools/PIGNet2
PIGNet2
mseok/PIGNet2
22 stars12 forksPythonAdded February 8, 2026
summary
PIGNet2 is a deep learning-based model that predicts protein-ligand interactions and binding affinities, facilitating virtual screening in drug discovery. It includes training and benchmarking scripts, making it a comprehensive tool for evaluating molecular interactions.
description
Official implementation of "PIGNet2: a versatile deep learning-based proteinligand interaction prediction model for binding affinity scoring and virtual screening" (Digital Discovery)
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