Meng Liu

Researcher, NVIDIA

Joined

November 2019

Names

Meng Liu (Preferred)

Emails

****@tamu.edu (Confirmed)

****@nvidia.com (Confirmed)

****@gmail.com (Confirmed)

****@sylph.ai (Confirmed)

Personal Links

Homepage

Google Scholar

DBLP

Career & Education History

Researcher

NVIDIA (nvidia.com)

2023 – Present

PhD student

Texas A&M University - College Station (tamu.edu)

2019 – 2023

Undergrad student

Electronic Engineering, Tsinghua University, Tsinghua University (mails.tsinghua.edu.cn)

2015 – 2019

Advisors, Relations & Conflicts

PhD Advisor

Shuiwang Ji

2019 – Present

Expertise

Deep Learning

Present

Graph Neural Networks

Present

Generative Models

Present

AI for Science

Present

AI Agents

Present

Publications

Exploring Synthesizable Chemical Space with Iterative Pathway Refinements
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham, Meng Liu, Danny Reidenbach, Saee Gopal Paliwal, Weili Nie, Arash Vahdat
- ICLR 2026 Oral
- Readers: Everyone
ToxBench: A Binding Affinity Prediction Benchmark with AB-FEP-Calculated Labels for Human Estrogen Receptor Alpha
Meng Liu, Karl Leswing, Simon K.S. Chu, FARHAD RAMEZANGHORBANI, Griffin Young, Gabriel Marques, Prerna Das, Anjali Panikar, Esther Jamir, Mohammed Sulaiman Shamsudeen, K. Shawn Watts, Ananya Sen, Hari Priya Devannagari, Edward B. Miller, Muyun Lihan, Howook Hwang, Janet Paulsen, Xin Yu, Kyle Gion, Timur Rvachov et al. (2 additional authors not shown)
- GenBio 2025 Poster
- Readers: Everyone
GenMol: A Drug Discovery Generalist with Discrete Diffusion
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham, Meng Liu, Danny Reidenbach, Yuxing Peng, Saee Gopal Paliwal, Weili Nie, Arash Vahdat
- ICML 2025 poster
- Readers: Everyone
GenMol: A Drug Discovery Generalist with Discrete Diffusion
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham, Meng Liu, Danny Reidenbach, Yuxing Peng, Saee Paliwal, Weili Nie, Arash Vahdat
- CoRR 2025
- Readers: Everyone
DualBind: A Dual-Loss Framework for Protein-Ligand Binding Affinity Prediction
Meng Liu, Saee Gopal Paliwal
- ML4LMS Poster
- Readers: Everyone
Molecule Generation with Fragment Retrieval Augmentation
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham, Meng Liu, Danny Reidenbach, Saee Gopal Paliwal, Arash Vahdat, Weili Nie
- NeurIPS 2024 poster
- Readers: Everyone
Molecule Generation with Fragment Retrieval Augmentation
Seul Lee, Karsten Kreis, Srimukh Prasad Veccham, Meng Liu, Danny Reidenbach, Saee Paliwal, Arash Vahdat, Weili Nie
- NeurIPS 2024
- Readers: Everyone
On the Markov Property of Neural Algorithmic Reasoning: Analyses and Methods
Montgomery Bohde, Meng Liu, Alexandra Saxton, Shuiwang Ji
- ICLR 2024
- Readers: Everyone
BioNeMo Framework: a modular, high-performance library for AI model development in drug discovery
Peter St. John, Dejun Lin, Polina Binder, Malcolm Greaves, Vega Shah, John St. John, Adrian Lange, Patrick D. Hsu, Rajesh Illango, Arvind Ramanathan, Anima Anandkumar, David H. Brookes, Akosua Busia, Abhishaike Mahajan, Stephen Malina, Neha Prasad, Sam Sinai, Lindsay Edwards, Thomas Gaudelet, Cristian Regep et al. (67 additional authors not shown)
- CoRR 2024
- Readers: Everyone

View all 67 publications

Co-Authors

View all 199 co-authors