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<It's part of the Lubricant Brain project.> Multimodal Attention Network for MOLecular property prediction (MANmol); 2) Adsorption energy dataset of 13320 organic compounds(AEdata); 3) 376 million Organic Compounds SMILES dataset(OCSmi).

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General Self-Adaptive Multimodal Attention Model and its application in Organic Small Molecule Adsorption Prediction and Screening

The 376 million Organic Compounds SMILES dataset (OCSmi) is stored in pkl format with a size of 21GB. Due to the large file size, please contact the corresponding author via email to obtain the dataset.

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<It's part of the Lubricant Brain project.> Multimodal Attention Network for MOLecular property prediction (MANmol); 2) Adsorption energy dataset of 13320 organic compounds(AEdata); 3) 376 million Organic Compounds SMILES dataset(OCSmi).

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qspr transformer-architecture adsorption-energy

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