Search Results for author: Sam Cox

Found 6 papers, 5 papers with code

MDCrow: Automating Molecular Dynamics Workflows with Large Language Models

1 code implementation13 Feb 2025 Quintina Campbell, Sam Cox, Jorge Medina, Brittany Watterson, Andrew D. White

In this paper, we introduce MDCrow, an agentic LLM assistant capable of automating MD workflows.

Language agents achieve superhuman synthesis of scientific knowledge

2 code implementations10 Sep 2024 Michael D. Skarlinski, Sam Cox, Jon M. Laurent, James D. Braza, Michaela Hinks, Michael J. Hammerling, Manvitha Ponnapati, Samuel G. Rodriques, Andrew D. White

We developed a rigorous human-AI comparison methodology to evaluate language model agents on real-world literature search tasks covering information retrieval, summarization, and contradiction detection tasks.

Information Retrieval Language Modeling +1

ChemCrow: Augmenting large-language models with chemistry tools

3 code implementations11 Apr 2023 Andres M Bran, Sam Cox, Oliver Schilter, Carlo Baldassari, Andrew D White, Philippe Schwaller

Our agent autonomously planned and executed the syntheses of an insect repellent, three organocatalysts, and guided the discovery of a novel chromophore.

Computational chemistry Drug Discovery

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