616 citations · 688 across the 6 of their papers we have counts for
Showing 2021Show all
2 papers · 1 filter
physics.chem-ph2021★ 1 cited
LiteGEM: Lite Geometry Enhanced Molecular Representation Learning for Quantum Property Prediction
Shanzhuo Zhang, Lihang Liu, Sheng Gao +6
In this report, we (SuperHelix team) present our solution to KDD Cup 2021-PCQM4M-LSC, a large-scale quantum chemistry dataset on predicting HOMO-LUMO gap of molecules. Our solution…
cs.LG2021★ 616 cited
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…