SciCore-Mol augments LLMs with three integrated modules for molecular perception, latent diffusion generation, and reaction reasoning, claiming an 8B open model competes with or exceeds proprietary systems on chemical tasks.
Mahoney, Andy Nonaka, and Zhi Yao
3 Pith papers cite this work. Polarity classification is still indexing.
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Larger LLMs handle detailed crystal descriptions better than small ones, and mean negative log-likelihood of predicted numbers tracks prediction error after fine-tuning.
A fine-tuned LLM called Perovskite-R1, built from curated perovskite literature and material libraries, proposes precursor additives and designs with some experimental validation showing improved stability and performance.
citing papers explorer
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SciCore-Mol: Augmenting Large Language Models with Pluggable Molecular Cognition Modules
SciCore-Mol augments LLMs with three integrated modules for molecular perception, latent diffusion generation, and reaction reasoning, claiming an 8B open model competes with or exceeds proprietary systems on chemical tasks.
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Scale-Dependent Input Representation and Confidence Estimation for LLMs in Materials Property Prediction
Larger LLMs handle detailed crystal descriptions better than small ones, and mean negative log-likelihood of predicted numbers tracks prediction error after fine-tuning.
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Perovskite-R1: a domain-specialized large language model for intelligent discovery of precursor additives and experimental design
A fine-tuned LLM called Perovskite-R1, built from curated perovskite literature and material libraries, proposes precursor additives and designs with some experimental validation showing improved stability and performance.