A modular LLM-centric framework for molecular relational learning that supports 1D, 2D, and 3D molecular inputs and flexible model assembly, benchmarked across DDI, SSI, and CSI tasks.
Se (3) equivariant graph neural networks with complete local frames
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ModuLM: Enabling Modular and Multimodal Molecular Relational Learning with Large Language Models
A modular LLM-centric framework for molecular relational learning that supports 1D, 2D, and 3D molecular inputs and flexible model assembly, benchmarked across DDI, SSI, and CSI tasks.