Enhancing Docking Accuracy with PECAN2, a 3D Atomic Neural Network Trained without Co-Complex Crystal Structures

Heesung Shim, Jonathan E. Allen, W. F. Drew Bennett. Enhancing Docking Accuracy with PECAN2, a 3D Atomic Neural Network Trained without Co-Complex Crystal Structures. Machine Learning and Knowledge Extraction, 6(1):642-657, March 2024. [doi]

Abstract

Abstract is missing.