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19 Results
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Workshop
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Sat 15:45 |
ChemLit-QA: A human evaluated dataset for chemistry RAG tasks Geemi Wellawatte · Huixuan Guo · Magdalena Lederbauer · Anna Borisova · Matthew Hart · Marta Brucka · Philippe Schwaller |
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Workshop
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Sat 15:45 |
Quantifying Uncertainty in Large Language Models: Applications in Molecular Chemistry Tasks Zizhang Chen · Pengyu Hong · Sandeep Madireddy |
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Workshop
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A Mamba-Based Foundation Model for Chemistry Emilio Vital Brazil · Eduardo Soares · Victor Yukio Shirasuna · Renato Cerqueira · Dmitry Zubarev · Kristin Schmidt |
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Workshop
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MaCBench: A multimodal chemistry and materials science benchmark Nawaf Alampara · Indrajeet Mandal · Pranav Khetarpal · Hargun Grover · Mara Schilling-Wilhelmi · N M Anoop Krishnan · Kevin Maik Jablonka |
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Workshop
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If optimizing for general parameters in chemistry is useful, why is it hardly done? Stefan P. Schmid · Ella Miray Rajaonson · Cher-Tian Ser · Mohammad Haddadnia · Shi Xuan Leong · Alan Aspuru-Guzik · Agustinus Kristiadi · Kjell Jorner · Felix Strieth-Kalthoff |
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Workshop
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ChemLit-QA: A human evaluated dataset for chemistry RAG tasks Geemi Wellawatte · Huixuan Guo · Magdalena Lederbauer · Anna Borisova · Matthew Hart · Marta Brucka · Philippe Schwaller |
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Workshop
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Integration-free kernels for equivariant Gaussian fields with application in dipole moment prediction Tim Steinert · David Ginsbourger · August Lykke-Møller · Ove Christiansen · Henry Moss |