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Computational chemistry unlocked: A record-breaking dataset to train AI models has launched

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Abstract

Open Molecules 2025, an unprecedented dataset of molecular simulations, has been released to the scientific community, paving the way for the development of machine learning tools that can accurately model chemical reactions of real-world complexity for the first time.
Key Data

  • Publication Date
    15 May 2025
  • Primary Author
    Aliyah Kovner
  • Source
    phys.org
  • Language
    English
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