ARIES-data / example_data /atom_labels.csv
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Recreate ARIES reaction and model-ready data
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example_id,atom_index,label,is_legal_atom
Sub_A__PrnA,0,0,0
Sub_A__PrnA,1,0,0
Sub_A__PrnA,2,0,1
Sub_A__PrnA,3,0,1
Sub_A__PrnA,4,1,1
Sub_A__PrnA,5,0,1
Sub_A__PrnA,6,0,0
Sub_A__PrnA,7,0,0
Sub_A__PrnA,8,0,0
Sub_A__PrnA,9,0,0
Sub_A__PyrH,0,0,0
Sub_A__PyrH,1,0,0
Sub_A__PyrH,2,0,1
Sub_A__PyrH,3,0,1
Sub_A__PyrH,4,1,1
Sub_A__PyrH,5,0,1
Sub_A__PyrH,6,0,0
Sub_A__PyrH,7,0,0
Sub_A__PyrH,8,0,0
Sub_A__PyrH,9,0,0
Sub_A__BorH,0,0,0
Sub_A__BorH,1,0,0
Sub_A__BorH,2,0,1
Sub_A__BorH,3,0,1
Sub_A__BorH,4,1,1
Sub_A__BorH,5,0,1
Sub_A__BorH,6,0,0
Sub_A__BorH,7,0,0
Sub_A__BorH,8,0,0
Sub_A__BorH,9,0,0
Sub_A__ThaL,0,0,0
Sub_A__ThaL,1,0,0
Sub_A__ThaL,2,0,1
Sub_A__ThaL,3,0,1
Sub_A__ThaL,4,1,1
Sub_A__ThaL,5,0,1
Sub_A__ThaL,6,0,0
Sub_A__ThaL,7,0,0
Sub_A__ThaL,8,0,0
Sub_A__ThaL,9,0,0
Sub_A__BrvH,0,0,0
Sub_A__BrvH,1,0,0
Sub_A__BrvH,2,0,1
Sub_A__BrvH,3,0,1
Sub_A__BrvH,4,1,1
Sub_A__BrvH,5,0,1
Sub_A__BrvH,6,0,0
Sub_A__BrvH,7,0,0
Sub_A__BrvH,8,0,0
Sub_A__BrvH,9,0,0
Sub_A__PltM,0,0,0
Sub_A__PltM,1,0,0
Sub_A__PltM,2,0,1
Sub_A__PltM,3,0,1
Sub_A__PltM,4,1,1
Sub_A__PltM,5,0,1
Sub_A__PltM,6,0,0
Sub_A__PltM,7,0,0
Sub_A__PltM,8,0,0
Sub_A__PltM,9,0,0
Sub_A__Th-Hal,0,0,0
Sub_A__Th-Hal,1,0,0
Sub_A__Th-Hal,2,0,1
Sub_A__Th-Hal,3,0,1
Sub_A__Th-Hal,4,1,1
Sub_A__Th-Hal,5,0,1
Sub_A__Th-Hal,6,0,0
Sub_A__Th-Hal,7,0,0
Sub_A__Th-Hal,8,0,0
Sub_A__Th-Hal,9,0,0
Sub_B__PrnA,0,0,0
Sub_B__PrnA,1,0,0
Sub_B__PrnA,2,0,0
Sub_B__PrnA,3,0,0
Sub_B__PrnA,4,0,1
Sub_B__PrnA,5,1,1
Sub_B__PrnA,6,0,0
Sub_B__PrnA,7,0,0
Sub_B__PrnA,8,1,1
Sub_B__PrnA,9,0,1
Sub_B__PyrH,0,0,0
Sub_B__PyrH,1,0,0
Sub_B__PyrH,2,0,0
Sub_B__PyrH,3,0,0
Sub_B__PyrH,4,0,1
Sub_B__PyrH,5,1,1
Sub_B__PyrH,6,0,0
Sub_B__PyrH,7,0,0
Sub_B__PyrH,8,1,1
Sub_B__PyrH,9,0,1
Sub_B__BorH,0,0,0
Sub_B__BorH,1,0,0
Sub_B__BorH,2,0,0
Sub_B__BorH,3,0,0
Sub_B__BorH,4,0,1
Sub_B__BorH,5,1,1
Sub_B__BorH,6,0,0
Sub_B__BorH,7,0,0
Sub_B__BorH,8,1,1
Sub_B__BorH,9,0,1
Sub_B__ThaL,0,0,0
Sub_B__ThaL,1,0,0
Sub_B__ThaL,2,0,0
Sub_B__ThaL,3,0,0
Sub_B__ThaL,4,0,1
Sub_B__ThaL,5,1,1
Sub_B__ThaL,6,0,0
Sub_B__ThaL,7,0,0
Sub_B__ThaL,8,1,1
Sub_B__ThaL,9,0,1
Sub_B__BrvH,0,0,0
Sub_B__BrvH,1,0,0
Sub_B__BrvH,2,0,0
Sub_B__BrvH,3,0,0
Sub_B__BrvH,4,0,1
Sub_B__BrvH,5,1,1
Sub_B__BrvH,6,0,0
Sub_B__BrvH,7,0,0
Sub_B__BrvH,8,1,1
Sub_B__BrvH,9,0,1
Sub_B__PltM,0,0,0
Sub_B__PltM,1,0,0
Sub_B__PltM,2,0,0
Sub_B__PltM,3,0,0
Sub_B__PltM,4,0,1
Sub_B__PltM,5,1,1
Sub_B__PltM,6,0,0
Sub_B__PltM,7,0,0
Sub_B__PltM,8,1,1
Sub_B__PltM,9,0,1
Sub_C__PyrH,0,0,0
Sub_C__PyrH,1,0,0
Sub_C__PyrH,2,0,0
Sub_C__PyrH,3,0,0
Sub_C__PyrH,4,0,1
Sub_C__PyrH,5,0,0
Sub_C__PyrH,6,0,0
Sub_C__PyrH,7,0,1
Sub_C__PyrH,8,0,1
Sub_C__PyrH,9,1,1
Sub_C__PyrH,10,0,1
Sub_C__PyrH,11,0,0
Sub_C__PyrH,12,0,0
Sub_C__PyrH,13,0,0
Sub_C__PyrH,14,0,0
Sub_C__BorH,0,0,0
Sub_C__BorH,1,0,0
Sub_C__BorH,2,0,0
Sub_C__BorH,3,0,0
Sub_C__BorH,4,0,1
Sub_C__BorH,5,0,0
Sub_C__BorH,6,0,0
Sub_C__BorH,7,0,1
Sub_C__BorH,8,1,1
Sub_C__BorH,9,0,1
Sub_C__BorH,10,0,1
Sub_C__BorH,11,0,0
Sub_C__BorH,12,0,0
Sub_C__BorH,13,0,0
Sub_C__BorH,14,0,0
Sub_C__ThaL,0,0,0
Sub_C__ThaL,1,0,0
Sub_C__ThaL,2,0,0
Sub_C__ThaL,3,0,0
Sub_C__ThaL,4,0,1
Sub_C__ThaL,5,0,0
Sub_C__ThaL,6,0,0
Sub_C__ThaL,7,0,1
Sub_C__ThaL,8,1,1
Sub_C__ThaL,9,0,1
Sub_C__ThaL,10,0,1
Sub_C__ThaL,11,0,0
Sub_C__ThaL,12,0,0
Sub_C__ThaL,13,0,0
Sub_C__ThaL,14,0,0
Sub_C__Th-Hal,0,0,0
Sub_C__Th-Hal,1,0,0
Sub_C__Th-Hal,2,0,0
Sub_C__Th-Hal,3,0,0
Sub_C__Th-Hal,4,0,1
Sub_C__Th-Hal,5,0,0
Sub_C__Th-Hal,6,0,0
Sub_C__Th-Hal,7,0,1
Sub_C__Th-Hal,8,1,1
Sub_C__Th-Hal,9,0,1
Sub_C__Th-Hal,10,0,1
Sub_C__Th-Hal,11,0,0
Sub_C__Th-Hal,12,0,0
Sub_C__Th-Hal,13,0,0
Sub_C__Th-Hal,14,0,0
Sub_C__PrnA,0,0,0
Sub_C__PrnA,1,0,0
Sub_C__PrnA,2,0,0
Sub_C__PrnA,3,0,0
Sub_C__PrnA,4,0,1
Sub_C__PrnA,5,0,0
Sub_C__PrnA,6,0,0
Sub_C__PrnA,7,1,1
Sub_C__PrnA,8,0,1
Sub_C__PrnA,9,0,1
Sub_C__PrnA,10,0,1
Sub_C__PrnA,11,0,0
Sub_C__PrnA,12,0,0
Sub_C__PrnA,13,0,0
Sub_C__PrnA,14,0,0
Sub_D__BorH,0,0,0
Sub_D__BorH,1,0,0
Sub_D__BorH,2,0,0
Sub_D__BorH,3,0,0
Sub_D__BorH,4,0,1
Sub_D__BorH,5,1,1
Sub_D__BorH,6,0,0
Sub_D__BorH,7,0,0
Sub_D__BorH,8,0,0
Sub_D__BorH,9,0,0
Sub_D__BorH,10,0,1
Sub_D__ThaL,0,0,0
Sub_D__ThaL,1,0,0
Sub_D__ThaL,2,0,0
Sub_D__ThaL,3,0,0
Sub_D__ThaL,4,0,1
Sub_D__ThaL,5,1,1
Sub_D__ThaL,6,0,0
Sub_D__ThaL,7,0,0
Sub_D__ThaL,8,0,0
Sub_D__ThaL,9,0,0
Sub_D__ThaL,10,0,1
Sub_D__BrvH,0,0,0
Sub_D__BrvH,1,0,0
Sub_D__BrvH,2,0,0
Sub_D__BrvH,3,0,0
Sub_D__BrvH,4,0,1
Sub_D__BrvH,5,1,1
Sub_D__BrvH,6,0,0
Sub_D__BrvH,7,0,0
Sub_D__BrvH,8,0,0
Sub_D__BrvH,9,0,0
Sub_D__BrvH,10,0,1