NaFM is a pretrained foundation model for natural products using scaffold-focused contrastive learning and masked graph objectives that achieves SOTA on taxonomy classification, gene/microbial analysis, and virtual screening tasks.
Nucleic Acids Research 49(D1), 509–515 (2021)
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Pretraining a Foundation Model for Small-Molecule Natural Products
NaFM is a pretrained foundation model for natural products using scaffold-focused contrastive learning and masked graph objectives that achieves SOTA on taxonomy classification, gene/microbial analysis, and virtual screening tasks.