616 citations · 688 across the 6 of their papers we have counts for
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Pre-Training on Large-Scale Generated Docking Conformations with HelixDock to Unlock the Potential of Protein-ligand Structure Prediction Models
Lihang Liu, Shanzhuo Zhang, Donglong He +12
Protein-ligand structure prediction is an essential task in drug discovery, predicting the binding interactions between small molecules (ligands) and target proteins (receptors). R…
GEM-2: Next Generation Molecular Property Prediction Network by Modeling Full-range Many-body Interactions
Lihang Liu, Donglong He, Xiaomin Fang +4
Molecular property prediction is a fundamental task in the drug and material industries. Physically, the properties of a molecule are determined by its own electronic structure, wh…
ChemRL-GEM: Geometry Enhanced Molecular Representation Learning for Property Prediction
Xiaomin Fang, Lihang Liu, Jieqiong Lei +6
Effective molecular representation learning is of great importance to facilitate molecular property prediction, which is a fundamental task for the drug and material industry. Rece…