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20242026
most citedAre large language models superhuman chemists?

19 citations · 45 across the 8 of their papers we have counts for

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cs.LG2025★ 1 cited

General-Purpose Models for the Chemical Sciences: LLMs and Beyond

Nawaf Alampara, Anagha Aneesh, Martiño Ríos-García +6

Data-driven techniques have a large potential to transform and accelerate the chemical sciences. However, chemical sciences also pose the unique challenge of very diverse, small, f…

cs.LG2025

ChemPile: A 250GB Diverse and Curated Dataset for Chemical Foundation Models

Adrian Mirza, Nawaf Alampara, Martiño Ríos-García +12

Foundation models have shown remarkable success across scientific domains, yet their impact in chemistry remains limited due to the absence of diverse, large-scale, high-quality da…

cs.LG2024★ 6 cited

Probing the limitations of multimodal language models for chemistry and materials research

Nawaf Alampara, Mara Schilling-Wilhelmi, Martiño Ríos-García +5

Recent advancements in artificial intelligence have sparked interest in scientific assistants that could support researchers across the full spectrum of scientific workflows, from…

cs.LG2024★ 5 cited

Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry

Yoel Zimmermann, Adib Bazgir, Zartashia Afzal +141

Here, we present the outcomes from the second Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry, which engaged participants across global hyb…

cs.LG2024★ 19 cited

Are large language models superhuman chemists?

Adrian Mirza, Nawaf Alampara, Sreekanth Kunchapu +32

Large language models (LLMs) have gained widespread interest due to their ability to process human language and perform tasks on which they have not been explicitly trained. Howeve…