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Di He — most-cited papers & profile · AI for Science
← authors
·
overview
Di He
14
papers ·
81
citations ·
17
h-index
Commonwealth Scientific and Industrial Research Organisation · Guangdong University of Technology · Sir Run Run Shaw Hospital · State Key Laboratory of Pollution Control and Resource Reuse · Zhejiang Lab · Agriculture and Food
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Most-cited papers
Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets
2022 · 25 citations
Is $L^2$ Physics-Informed Loss Always Suitable for Training Physics-Informed Neural Network?
2022 · 25 citations
Learning Physics-Informed Neural Networks without Stacked Back-propagation
2022 · 9 citations
End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction
2024 · 6 citations
Highly Accurate Quantum Chemical Property Prediction with Uni-Mol+
2023 · 6 citations
One Transformer Can Understand Both 2D & 3D Molecular Data
2022 · 5 citations
Learning a Fourier Transform for Linear Relative Positional Encodings in Transformers
2023 · 2 citations
3D Molecular Generation via Virtual Dynamics
2023 · 2 citations
Forward Laplacian: A New Computational Framework for Neural Network-based Variational Monte Carlo
2023 · 1 citations
Exploration of Dark Chemical Genomics Space via Portal Learning: Applied to Targeting the Undruggable Genome and COVID-19 Anti-Infective Polypharmacology
2021
An Empirical Study of Graphormer on Large-Scale Molecular Modeling Datasets
2022
GeoMFormer: A General Architecture for Geometric Molecular Representation Learning
2024
Top co-authors
Shengjie Luo
· 5
Tie-Yan Liu
· 5
Guolin Ke
· 4
Liwei Wang
· 4
Shuxin Zheng
· 4
Shuqi Lu
· 3
Chang Liu
· 2
Chuwei Wang
· 2
Jiacheng You
· 2
Jiyan He
· 2
Lin Yao
· 2
Tianlang Chen
· 2
Topics
Chemistry
Drug Discovery
Materials
Physics ML
Math & Equations
Genomics
Medical AI
Protein Science