alxfgh/Large-Language-Models-in-Chemistry
Working collection of papers, repos and models of transformer based language models trained or tuned for the Chemical domain, from natural language to chemical modeling and property prediction
This is a curated collection of cutting-edge research and tools for chemists, materials scientists, and drug discovery professionals. It helps you find models that can translate between chemical structures and natural language, predict chemical reactions, or generate new molecules. You can explore how these advanced systems take chemical data (like SMILES strings or 3D structures) and text descriptions as input to output predictions about properties, reactions, or novel compounds.
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Use this if you are a chemist, materials scientist, or pharmacologist looking for advanced computational methods to accelerate research in areas like drug design, materials discovery, or reaction pathway optimization.
Not ideal if you are looking for ready-to-use software applications with a graphical user interface for everyday lab tasks.
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Jun 18, 2023
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