1 code implementation • 13 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.
1 code implementation • 30 Dec 2024 • Siddharth Narayanan, James D. Braza, Ryan-Rhys Griffiths, Manu Ponnapati, Albert Bou, Jon Laurent, Ori Kabeli, Geemi Wellawatte, Sam Cox, Samuel G. Rodriques, Andrew D. White
Solving complex real-world tasks requires cycles of actions and observations.
2 code implementations • 10 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.
no code implementations • 8 Dec 2023 • Jakub Lála, Odhran O'Donoghue, Aleksandar Shtedritski, Sam Cox, Samuel G. Rodriques, Andrew D. White
We present PaperQA, a RAG agent for answering questions over the scientific literature.
2 code implementations • 9 Jun 2023 • Kevin Maik Jablonka, Qianxiang Ai, Alexander Al-Feghali, Shruti Badhwar, Joshua D. Bocarsly, Andres M Bran, Stefan Bringuier, L. Catherine Brinson, Kamal Choudhary, Defne Circi, Sam Cox, Wibe A. de Jong, Matthew L. Evans, Nicolas Gastellu, Jerome Genzling, María Victoria Gil, Ankur K. Gupta, Zhi Hong, Alishba Imran, Sabine Kruschwitz, Anne Labarre, Jakub Lála, Tao Liu, Steven Ma, Sauradeep Majumdar, Garrett W. Merz, Nicolas Moitessier, Elias Moubarak, Beatriz Mouriño, Brenden Pelkie, Michael Pieler, Mayk Caldas Ramos, Bojana Ranković, Samuel G. Rodriques, Jacob N. Sanders, Philippe Schwaller, Marcus Schwarting, Jiale Shi, Berend Smit, Ben E. Smith, Joren Van Herck, Christoph Völker, Logan Ward, Sean Warren, Benjamin Weiser, Sylvester Zhang, Xiaoqi Zhang, Ghezal Ahmad Zia, Aristana Scourtas, KJ Schmidt, Ian Foster, Andrew D. White, Ben Blaiszik
Recent studies suggested that these models could be useful in chemistry and materials science.
3 code implementations • 11 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.