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Add dataset ROASMI_86#197

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f-kretschmer merged 5 commits intomastermichaelwitting/RepoRT:masterfrom new_data_ROASMI_86michaelwitting/RepoRT:new_data_ROASMI_86Copy head branch name to clipboardNov 18, 2024

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Commits on Nov 15, 2024

• added dataset ROASMI_86

  

  L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant

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  L. Mark Hall, Dennis W. Hill, Kelly Bugden, Shannon Cawley, Lowell H. Hall, Ming-Hui Chen, David F. Grant

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• properly sort SMILES into isomeric and canonical

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• Preprocessing draft_45277

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Commits on Nov 18, 2024

• Merge branch 'master' into new_data_ROASMI_86

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• [no ci] set IDs for newly submitted datasets: 0437; previously draft_45277

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