conformer generation 1fine-tuning 1large language models 1molecular geometry prediction 1z-matrix representation 1
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cs.LG2026
Humanity's Last Exam
Long Phan, Alice Gatti, Ziwen Han +1144
Benchmarks are important tools for tracking the rapid advancements in large language model (LLM) capabilities. However, benchmarks are not keeping pace in difficulty: LLMs now achi…
cs.LG2025
SynLlama: Generating Synthesizable Molecules and Their Analogs with Large Language Models
Kunyang Sun, Dorian Bagni, Joseph M. Cavanagh +6
Generative machine learning models for exploring chemical space have shown immense promise, but many molecules they generate are too difficult to synthesize, making them impractica…