Bolek injects Morgan fingerprint embeddings into an instruction-tuned text model, then fine-tunes on molecular alignment and synthetic chain-of-thought tasks to improve performance and grounding on 15 TDC binary classification endpoints while generalizing to unseen tasks.
Preprint, arXiv:2311.16208
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LGPT and Early Query Fusion create flexible graph representations for LLMs, achieving 4.13% improvement on GraphQA without training the model.
Position paper claims multimodal LLMs can significantly advance scientific reasoning and proposes a four-stage roadmap plus challenges and suggestions.
citing papers explorer
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Bolek: A Multimodal Language Model for Molecular Reasoning
Bolek injects Morgan fingerprint embeddings into an instruction-tuned text model, then fine-tunes on molecular alignment and synthetic chain-of-thought tasks to improve performance and grounding on 15 TDC binary classification endpoints while generalizing to unseen tasks.
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Query-Aware Learnable Graph Pooling Tokens as Prompt for Large Language Models
LGPT and Early Query Fusion create flexible graph representations for LLMs, achieving 4.13% improvement on GraphQA without training the model.
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Position: Multimodal Large Language Models Can Significantly Advance Scientific Reasoning
Position paper claims multimodal LLMs can significantly advance scientific reasoning and proposes a four-stage roadmap plus challenges and suggestions.
- Property Enhanced Instruction Tuning for Multi-task Molecule Generation with Large Language Models