activity
20202026
most citedMulti-View Graph Neural Networks for Molecular Property Prediction

35 citations · 42 across the 5 of their papers we have counts for

collaborators

5 papers

q-bio.QM2026

AROMA: Augmented Reasoning Over a Multimodal Architecture for Virtual Cell Genetic Perturbation Modeling

Zhenyu Wang, Geyan Ye, Wei Liu +1

Virtual cell modeling predicts molecular state changes under genetic perturbations in silico, which is essential for biological mechanism studies. However, existing approaches suff…

q-bio.QM2024★ 1 cited

Atomas: Hierarchical Alignment on Molecule-Text for Unified Molecule Understanding and Generation

Yikun Zhang, Geyan Ye, Chaohao Yuan +5

Molecule-and-text cross-modal representation learning has emerged as a promising direction for enhancing the quality of molecular representation, thereby improving performance in v…

q-bio.QM2024★ 1 cited

Annotation-guided Protein Design with Multi-Level Domain Alignment

Chaohao Yuan, Songyou Li, Geyan Ye +6

The core challenge of de novo protein design lies in creating proteins with specific functions or properties, guided by certain conditions. Current models explore to generate prote…

q-bio.QM2023★ 5 cited

DrugAssist: A Large Language Model for Molecule Optimization

Geyan Ye, Xibao Cai, Houtim Lai +5

Recently, the impressive performance of large language models (LLMs) on a wide range of tasks has attracted an increasing number of attempts to apply LLMs in drug discovery. Howeve…

q-bio.QM2020★ 35 cited

Multi-View Graph Neural Networks for Molecular Property Prediction

Hehuan Ma, Yatao Bian, Yu Rong +5

The crux of molecular property prediction is to generate meaningful representations of the molecules. One promising route is to exploit the molecular graph structure through Graph…