"molecular relational learning" Papers

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3D Interaction Geometric Pre-training for Molecular Relational Learning

Namkyeong Lee, Yunhak Oh, Heewoong Noh et al.

NEURIPS 2025spotlightarXiv:2412.02957

Iterative Substructure Extraction for Molecular Relational Learning with Interactive Graph Information Bottleneck

Shuai Zhang, Junfeng Fang, Xuqiang Li et al.

ICLR 2025
1
citations

ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models

Zhuo Chen, YIZHEN ZHENG, Huan Yee Koh et al.

NEURIPS 2025arXiv:2506.00880
1
citations