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Santiago Miret

MatExpert: Decomposing Materials Discovery by Mimicking Human Experts

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Oct 26, 2024
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Deconstructing equivariant representations in molecular systems

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Oct 10, 2024
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HoneyComb: A Flexible LLM-Based Agent System for Materials Science

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Aug 29, 2024
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From Text to Insight: Large Language Models for Materials Science Data Extraction

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Jul 23, 2024
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MatText: Do Language Models Need More than Text & Scale for Materials Modeling?

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Jun 25, 2024
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Are large language models superhuman chemists?

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Apr 01, 2024
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Are LLMs Ready for Real-World Materials Discovery?

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Feb 07, 2024
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A Hitchhiker's Guide to Geometric GNNs for 3D Atomic Systems

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Dec 12, 2023
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Towards equilibrium molecular conformation generation with GFlowNets

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Oct 20, 2023
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Reflection-Equivariant Diffusion for 3D Structure Determination from Isotopologue Rotational Spectra in Natural Abundance

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Oct 17, 2023
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