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Demo organic reaction dataset used in "Physical Science Track of the 2nd World AI4S Prize"

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Figshare2025-10-02 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Demo_organic_reaction_dataset_used_in_Physical_Science_Track_of_the_2nd_World_AI4S_Prize_/30265270
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This reaction dataset was collected by the data platform team of SAIS from multiple open-source sources, and was used as the training and validation dataset for the model of 'the Physical Science Track of the 2nd World AI4S Prize'. Since the competition has ended, we have also uploaded the answers for the test set.round1_train_data.csv -> Training set of initial roundround1_test_data.csv -> Test set of initial roundround2_train_data.csv -> Training set of semi-final roundround2_test_data.csv -> Test set of semi-final roundround1_test_data_with_ans.csv -> Answer for initial round test setround2_test_data_with_ans.csv -> Answer of semi-final round test set
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2025-10-02
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