HUBioDataLab/SELFormerMM

SELFormerMM Multimodal molecular representation data for SELFormerMM — an extension of SELFormer that aligns four complementary views of a molecule in a shared embedding space: SELFIES sequences, 3D/structural graphs, textual descriptions, and knowledge-graph context, trained with multimodal supervised contrastive learning on ~2.9M molecules. Paper: SELFormerMM: multimodal molecular representation learning via SELFIES, structure, text, and knowledge graph integration… See the full description on the dataset page: https://huggingface.co/datasets/HUBioDataLab/SELFormerMM.

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