Silly Things Large Language Models Do With Molecules
Practical Cheminformatics
OCTOBER 8, 2024
“Pay no attention to the man behind the curtain” - The Wizard of Oz Introduction Recently, a few groups have proposed general-purpose large language models (LLMs) like ChatGPT , Claude , and Gemini as tools for generating molecules. This idea is appealing because it doesn't require specialized software or domain-specific model training. One can provide the LLM with a relatively simple prompt like the one below, and it will respond with a list of SMILES strings.
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