14 citations · 75 across the 28 of their papers we have counts for
Showing 2023Show all
3 papers · 1 filter
cond-mat.mtrl-sci2023
Single-image based deep learning for precise atomic defects identification
Kangshu Li, Xiaocang Han, Yanhui Hong +11
Defect engineering has been profoundly employed to confer desirable functionality to materials that pristine lattices inherently lack. Although single atomic-resolution scanning tr…
q-bio.BM2023★ 13 cited
Uni-QSAR: an Auto-ML Tool for Molecular Property Prediction
Zhifeng Gao, Xiaohong Ji, Guojiang Zhao +4
Recently deep learning based quantitative structure-activity relationship (QSAR) models has shown surpassing performance than traditional methods for property prediction tasks in d…
physics.chem-ph2023★ 6 cited
Highly Accurate Quantum Chemical Property Prediction with Uni-Mol+
Shuqi Lu, Zhifeng Gao, Di He +2
Recent developments in deep learning have made remarkable progress in speeding up the prediction of quantum chemical (QC) properties by removing the need for expensive electronic s…