Shengchao Liu
Assistant Professor
Develops AI methods for physics, chemistry, materials science and biology, such as molecular representation learning.
Shengchao Liu's lab at CUHK works on proteins, drugs & materials, genomics & computational biology and generative & foundation models. 33 papers since 2023, 19 at top venues, mostly ICLR and NeurIPS. 1 master's student. Applications close .
At a glance
- papers, 2023–2026
- 9/ year
- at T1 venues
- 58%
- PhD students
- 0
- MS students
- 1
- alumni listed
- —
Papers by yearfrom the lab homepage, 2023–2026
- 5 papers2026 · T1 5 · collecting
- 6 papers2025 · T1 4
- 11 papers2024 · T1 3
- 11 papers2023 · T1 7
T1 venuesOtherVenues: ICLR, NeurIPS, ICML, Nature Machine Intelligence, Nature Communications
Research focuspaper titles that use each topic's words
- Proteins, drugs & materials8 papers
- Generative & foundation models7 papers
- molecular4 papers
- Genomics & computational biology1 paper
- chemistry0 papers
Paper list
From the lab homepage.
20265 papers
- NeurIPS (T1)BioSafetyBench: Agentic Cascade Evaluation for the Bio-AI Ecosystem
- ICML (T1)InertialAR: Autoregressive 3D Molecule Generation with Inertial Frames
- ICLR (T1)InertialGenome: A Resolution-Agnostic Geometric Transformer for Chromosome Modeling Using Inertial Frame
- ICLR (T1)K-Flow: Flow Along the K-Amplitude for Generative Modeling
- ICLR (T1)RigidSSL: Rigidity-Aware Geometric Pretraining for Protein Design and Conformational Ensembles
20256 papers
- Nature Communications (T1)A Multi-Grained Symmetric Differential Equation Model for Learning Protein-Ligand Binding Dynamics
- Nature Machine Intelligence (T1)A Text-guided Protein Design Framework
- ICLR (T1)AssembleFlow: Rigid Flow Matching with Inertial Frames for Molecular Assembly
- AIASLarge Language Models in Drug Discovery: Insights from Reasoning and Planning
- PNAS (T1)Manifold-Constrained Nucleus-Level Denoising Diffusion Model for Structure-Based Drug Design
- ICLR FinancieAI WorkshopMulti-modal Large Language Model for Financial Activities: A Case Study on Hotel Budgeting
202411 papers
- NeurIPS AIDrugX WorkshopA Foundational Multi-Modal Knowledge Graph for Pancreatic Cancer Drug Effects Prediction
- NeurIPS (T1)CARE: a Benchmark Suite for the Classification and Retrieval of Enzymes
- ICLR (T1)ChatGPT-powered Conversational Drug Editing Using Retrieval and Domain Feedback
- ICML ML4LMS WorkshopCrystalFlow: An Equivariant Flow Matching Framework for Learning Molecular Crystallization
- ICLR SpotlightImproving Out-of-Domain Generalization with Domain Relations
- NeurIPS AIDrugX WorkshopLanguage Models for Text-guided Protein Evolution
- Supercomputing Conference: The International Conference for High Performance Computing, Networking, Storage, and AnalysisMProt-DPO: Breaking the ExaFLOPS Barrier for Multimodal Protein Design Workflows with Direct Preference Optimization
- NeurIPS AIDrugX WorkshopMulti-modal Molecule Geometry-text Model for Text-based Reaction Editing
- NeurIPS AI4Mat WorkshopNeuralCrystal: A Geometric Foundation Model for Crystalline Material Discovery
- NeurIPS AIDrugX WorkshopUnderstanding Protein-DNA Interactions by Paying Attention to Protein and Genomics Foundation Models
- TMLR (T1)Unsupervised Discovery of Steerable Factors When Graph Deep Generative Models Are Entangled
202311 papers
- ICML (T1)A Group Symmetric Stochastic Differential Equation Model for Molecule Multi-modal Pretraining
- ECAIAugmenting Message Passing by Retrieving Similar Graphs
- ACS, Journal of Chemical Information and ModelingEvaluating scalable supervised learning for synthesize-on-demand chemical libraries
- NeurIPS (T1)Evaluating Self-Supervised Learned Molecular Graphs
- AAAI-Student AbstractFlaky Performances when Pretraining on Relational Databases
- NeurIPS (T1)GIMLET: A Unified Graph-Text Model for Instruction-Based Molecule Zero-Shot Learning
- ICLR (T1)Molecular Geometry Pretraining with SE(3)-Invariant Denoising Distance Matching
- NeurIPS (T1)Molecule Joint Auto-Encoding: Trajectory Pretraining with 2D and 3D Diffusion
- Nature Machine Intelligence (T1)Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval
- ACS, Journal of the American Chemical SocietyShaping the Water Harvesting Behavior of Metal-Organic Frameworks Aided by Fine-Tuned GPT Models
- NeurIPS (T1)Symmetry-Informed Geometric Representation for Molecules, Proteins, and Crystalline Materials
Where alumni went
Alumni are not listed on the lab homepage.
Apply to CUHKFall 2027
Computer Science and Engineering MPhil/PhD
- Round
- HKPFS / main round
- Opens
- —
- GRE
- See program page
- English
- Interview in English
- Fee
- See program page
Not yet confirmed for this intake.
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Data
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