MIT (Zalte, Burns, Abreu, Green, with BASF researchers) · Molecular Foundation Model
CheMeleon
CheMeleon is an open-source pre-trained foundation model for predicting molecular properties, built with the ChemProp package and available to download and fine-tune. It learns by predicting about 1,600 molecular descriptors for roughly a million PubChem molecules, then fine-tunes to tasks such as solubility, toxicity and ligand affinity. The paper, in the Journal of Chemical Information and Modeling, reports that it outperformed other foundation models and expert-designed models across 58 test cases, and nine of the top 20 entries in an OpenADMET prediction contest used it.
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