This is your work, valued

Hong Kong

Shengchao Liu

Expert
@chao1224

AP at CUHK, and PI of Wave Intelligence Lab. Postdoc at UCB. PhD at Mila. Intern at Nvidia, ServiceNow AI, IQVIA, and Facebook.

MoleculeSTM. Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)

261

GraphMVP. Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)

217

ChatDrug. LLM for Drug Editing, ICLR 2024

161

Geom3D. Geom3D: Geometric Modeling on 3D Structures, NeurIPS 2023

130

ProteinDT. A Text-guided Protein Design Framework, Nat Mach Intell 2025 (https://www.nature.com/articles/s42256-025-01011-z)

107

GeoSSL. GeoSSL: Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching, ICLR'23 (https://openreview.net/forum?id=CjTHVo1dvR)

49

NeuralMD. NeuralMD for Protein-ligand Binding Simulation, Nature Communicaitons 2025 https://www.nature.com/articles/s41467-025-67808-z

49

n_gram_graph. N-Gram Graph: Simple Unsupervised Representation for Graphs, NeurIPS'19 (https://arxiv.org/abs/1806.09206)

40

MoleculeSDE. A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining, ICML'23

35

Loss-Balanced-Task-Weighting. Loss-Balanced Task Weighting to Reduce Negative Transfer in Multi-Task Learning, AAAI-SA'19

30

ChatBattery. Python

18

SGNN-EBM. Structured Multi-task Learning for Molecular Property Prediction, AISTATS'22 (https://proceedings.mlr.press/v151/liu22e.html)

14

BioChemGNN_Dense. Python

11

AssembleFlow. Code for AssembleFlow, ICLR 2025

9

BadGlobalMinima. Bad Global Minima Exist and SGD Can Reach Them, NeurIPS'20 (https://arxiv.org/abs/1906.02613)

8

BioChemGNN. Python

5

GraphCG. Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled, TMLR 2024

5

POJ. This is all about the ACM/ICPC programs on POJ.

2

HDU. This is all about the ACM/ICPC programs on HUD.

2

TensorFlow. Python

2

CrystalFlow.

1

torchdiffeq. Differentiable ODE solvers with full GPU support and O(1)-memory backpropagation.

1

NeuralCrystal.

1

Structured_Streaming. Scala

1

awesome-deep-learning. A curated list of awesome Deep Learning tutorials, projects and communities.

1

awesome-deep-learning-papers. The most cited deep learning papers

1

DictionaryLearning. MATLAB

1

Artificial-Intelligence-Terminology. The English-Chinese paired terminologies in Artificial Intelligence Domain

1

decagon. Python

1

BadGlobalMinima_toy_example. Python

1

AI-Terminology-page. The English-Chinese paired terminologies in Artificial Intelligence Domain

1

Deep-Learning-Papers-Reading-Roadmap. Deep Learning papers reading roadmap for anyone who are eager to learn this amazing tech!

1