computation-chemistry

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chao1224 / MoleculeSTM

Multi-modal Molecule Structure-text Model for Text-based Editing and Retrieval, Nat Mach Intell 2023 (https://www.nature.com/articles/s42256-023-00759-6)

retrieval editing drug-discovery clip pretraining computation-chemistry foundation-model moleculestm moleculeclip molecule-editing

Updated Jun 27, 2025
Python

molvision / MolVision

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About [NeurIPS 2025 D&B] Official implementation and benchmark evaluation repository of <MolVision: Molecular Property Prediction with Vision Language Models>

molecular-property-prediction computation-chemistry vision-language-models

Updated Oct 23, 2025
Jupyter Notebook

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