most citedSpace Group Constrained Crystal Generation

15 citations · 38 across the 8 of their papers we have counts for

collaborators

8 papers

cs.AI2026

GraphThink: Graph-Enhanced LLM Thinking for Long-Horizon Embodied Task Planning

Chen Li, Sijie Cheng, Yuelin Zhang +4

Embodied agents using LLM-based planners often struggle with physical hallucinations, poor generalization to long-horizon tasks, and lack of environmental awareness. We propose Gra…

cs.RO2026

PointWorld: Scaling 3D World Models for In-The-Wild Robotic Manipulation

Wenlong Huang, Yu-Wei Chao, Arsalan Mousavian +4

Humans anticipate, from a glance and a contemplated action of their bodies, how the 3D world will respond, a capability that is equally vital for robotic manipulation. We introduce…

physics.chem-ph2024★ 1 cited

Force-Guided Bridge Matching for Full-Atom Time-Coarsened Dynamics of Peptides

Ziyang Yu, Wenbing Huang, Yang Liu

Molecular Dynamics (MD) is crucial in various fields such as materials science, chemistry, and pharmacology to name a few. Conventional MD software struggles with the balance betwe…

cs.LG2024★ 12 cited

A Survey of Geometric Graph Neural Networks: Data Structures, Models and Applications

Jiaqi Han, Jiacheng Cen, Liming Wu +13

Geometric graphs are a special kind of graph with geometric features, which are vital to model many scientific problems. Unlike generic graphs, geometric graphs often exhibit physi…

q-bio.BM2024★ 4 cited

Full-Atom Peptide Design with Geometric Latent Diffusion

Xiangzhe Kong, Yinjun Jia, Wenbing Huang +1

Peptide design plays a pivotal role in therapeutics, allowing brand new possibility to leverage target binding sites that are previously undruggable. Most existing methods are eith…

cs.LG2024★ 1 cited

An Equivariant Pretrained Transformer for Unified 3D Molecular Representation Learning

Rui Jiao, Xiangzhe Kong, Li Zhang +5

Pretraining on a large number of unlabeled 3D molecules has showcased superiority in various scientific applications. However, prior efforts typically focus on pretraining models i…

cs.LG2024★ 15 cited

Space Group Constrained Crystal Generation

Rui Jiao, Wenbing Huang, Yu Liu +2

Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods…

cs.LG2024★ 5 cited

Rigid Protein-Protein Docking via Equivariant Elliptic-Paraboloid Interface Prediction

Ziyang Yu, Wenbing Huang, Yang Liu

The study of rigid protein-protein docking plays an essential role in a variety of tasks such as drug design and protein engineering. Recently, several learning-based methods have…