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\chemfig{ -[:38] N _ { + } ?[a] ( -[:64] -[:12] -[:321] -[:270] N ( -[:-142] -[:167] ?[a,{-}] ) -[:334] S ( =[:64] O ) ( =[:244] O ) -[:-30] -[1 ]-[7] -[1] -[7] -[1] -[7] -[1] -[7] -[1] -[7] -[1] -[7] -[1] ) -[:141] }
\chemfig { -[:45] N _ { + } ?[a] branch( -[:315] -[:345] -[:45] N branch( -[:90] -[:135] -[:195] ?[a,{-}] branch) -[:330] S branch( -[:345] -[:45] -[:315] -[:45] -[:315] -[:45] -[:315] -[:45] -[:315] -[:45] -[:315] -[:45] -[:315] -[:45] branch) branch( =[:60] O branch) =[:240] O branch) -[:135] }
\chemfig { -[:38.0,1.0] N _ { + } ?[a] branch( -[:295.28,1.01] -[:347.0,1.0] -[:38.0,1.0] N branch( -[:90.0,1.0] -[:141.0,1.0] -[:192.0,1.0] ?[a,{-}] branch) -[:334.0,1.0] S branch( -[:330.0,1.0] -[:45.0,1.0] -[:315.0,1.0] -[:45.0,1.0] -[:315.0,1.0] -[:45.0,1.0] -[:315.0,1.0] -[:45.0,1.0] -[:315.0,1.0] -[:45.0,1.0] -[:...
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"-[:45]\", null, null], [\"N\", null, null], [\"_\", null, null], [\"{\", null, null], [\"+\", null, null], [\"}\", null, null], [\"\\\\place[:60]\", null, null], [\"\\\\place[:135]\", null, null], [\"\\\\place[:300]\", null, null], [\"\\\\eol\", null, null], ...
./EDU-CHMEC_MM23\train\train_00000.jpg
\chemfig{ -[:0] -[::60] N ?[a] -[::300] ?[b] -[::60,0.9999999999999994] ( -[::300] (**6( - ( -[::300] -[::300] ?[b,{<}] ) - ( -[::300,,,1] O H ) - ( -[::300,,,1] O H ) - - - )) ) <:[::60] -[::60] -[::60] ?[a,{-}] }
\chemfig { -[:0] -[:60] N ?[a] branch( -[:120] -[:60] -[:0] <:[:300] ?[b] branch( -[:240] ?[a,{-}] branch( <[:315] -[:0] -[:60] ?[c] branch( -[:0] branch( -[:60] branch( -[:120] -[:180] -[:240] ?[b,{-}] ?[c,{-}] branch( -:[:0] \circle branch) branch) -[:0] O H branch) -[:300] O H branch) branch) branch) branch) }
\chemfig { -[:0.0,1.0] -[:60.0,1.0] N ?[a] branch( -[:120.0,1.0] -[:60.0,1.0] -[:0.0,1.0] >:[:300.0,1.0] ?[b] branch( -[:240.0,1.0] ?[a,{-}] branch( <[:300.0,1.0] -[:0.0,1.0] -[:60.0,1.0] ?[c] branch( -[:0.0,1.0] branch( -[:60.0,1.0] branch( -[:120.0,1.0] -[:180.0,1.0] -[:240.0,1.0] ?[b,{-}] ?[c,{-}] branch( -:[:0.0,1....
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"-[:0]\", null, null], [\"-[:60]\", null, null], [\"N\", null, null], [\"\\\\place[:0]\", null, null], [\"\\\\place[:120]\", null, null], [\"\\\\eol\", null, null], [\"-[:0]\", null, 5], [\"\\\\place[:60]\", null, null], [\"\\\\place[:300]\", null, null], [\"\...
./EDU-CHMEC_MM23\train\train_00001.jpg
\chemfig{ B r -[:30] **6( - - - ( -[:30] N **5( - ( -[:282] ( =[:222] O ) -[:342] O -[:282] ) - ( -[:354] ( -[:54] O -[:354] ) =[:294] O ) - N - N - ) ) - - - ) }
\chemfig { B r -[:30] ?[a] branch( -:[:30] \circle branch) branch( -[:90] -[:30] -[:330] branch( -[:30] N ?[b] branch( -:[:30] \circle branch) branch( -[:90] N -[:15] N -[:300] branch( -[:225] ?[b,{-}] -[:285] branch( =[:225] O branch) -[:345] O -[:285] branch) -[:0] branch( -[:60] O -[:0] branch) =[:300] O branch) bra...
\chemfig { B r -[:30.0,1.0] ?[a] branch( -:[:30.0,1.0] \circle branch) branch( -[:90.0,1.0] -[:30.0,1.0] -[:330.0,1.0] branch( -[:30.0,1.0] N ?[b] branch( -:[:30.0,0.85] \circle branch) branch( -[:84.0,1.0] N -[:12.0,1.0] N -[:300.0,1.0] branch( -[:228.0,1.0] ?[b,{-}] -[:282.0,1.0] branch( =[:222.0,1.0] O branch) -[:34...
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"B\", null, null], [\"r\", null, null], [\"-[:30]\", null, null], [\"\\\\place[:30]\", null, null], [\"\\\\place[:90]\", null, null], [\"\\\\place[:330]\", null, null], [\"\\\\eol\", null, null], [\"-[:330]\", null, 7], [\"-[:30]\", null, null], [\"-[:90]\", n...
./EDU-CHMEC_MM23\train\train_00002.jpg
\chemfig{HO-[:315,,2](-[::60](**6(-(=[::300]O)-(**6(-(-[::300])-(-[::300]F)-(-[::300]N?[a]-[::54,0.9999999999999994]-[::288](<[::54,,,1]NH_{2})-[::288]-[::288]?[a,{-}])-N-))--N(-[::300](-[::300])-[::60]F)--)))=[::300]O}
\chemfig { H O -[:315] branch( -[:15] ?[a] branch( -:[:15] \circle branch) branch( -[:75] -[:15] N branch( -[:315] ?[b] branch( -[:15] N -[:315] branch( -[:255] branch( -[:195] branch( -[:135] ?[b,{-}] branch( -:[:15] \circle branch) -[:195] ?[a,{-}] =[:255] O branch) -[:255] branch) -[:315] F branch) -[:15] N ?[c] bra...
\chemfig { H O -[:315.0,1.0] branch( -[:15.0,1.0] ?[a] branch( -:[:15.0,1.0] \circle branch) branch( -[:75.0,1.0] -[:15.0,1.0] N branch( -[:315.0,1.0] ?[b] branch( -[:15.0,1.0] N -[:315.0,1.0] branch( -[:255.0,1.0] branch( -[:195.0,1.0] branch( -[:135.0,1.0] ?[b,{-}] branch( -:[:15.0,1.0] \circle branch) -[:195.0,1.0] ...
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"H\", null, null], [\"O\", null, null], [\"-[:315]\", null, null], [\"\\\\place[:15]\", null, null], [\"\\\\place[:255]\", null, null], [\"\\\\eol\", null, null], [\"=[:255]\", null, 6], [\"O\", null, null], [\"\\\\eol\", null, null], [\"-[:15]\", null, 5], [\...
./EDU-CHMEC_MM23\train\train_00003.jpg
\chemfig{ -[:330] O -[:30] **6( - - - ( -[:30] N ( -[:90] -[:150] **5( - S - - - - ) ) -[:330] ( -[:30] **6( - - - - - ( -[:150] ) - ) ) =[:270] O ) - - - ) }
\chemfig { -[:330] O -[:30] ?[a] branch( -:[:30] \circle branch) branch( -[:90] -[:30] -[:330] branch( -[:30] N branch( -[:90] -[:150] ?[b] branch( -[:90] S -[:165] -[:240] branch( -:[:0] \circle branch) -[:315] ?[b,{-}] branch) branch) -[:330] branch( -[:30] ?[c] branch( -:[:30] \circle branch) branch( -[:90] branch( ...
\chemfig { -[:330.0,1.0] O -[:30.0,1.0] ?[a] branch( -:[:30.0,1.0] \circle branch) branch( -[:90.0,1.0] -[:30.0,1.0] -[:330.0,1.0] branch( -[:30.0,1.0] N branch( -[:90.0,1.0] -[:150.0,1.0] ?[b] branch( -[:96.0,1.0] S -[:168.0,1.0] -[:240.0,1.0] branch( -:[:6.0,0.85] \circle branch) -[:312.0,1.0] ?[b,{-}] branch) branch...
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"-[:330]\", null, null], [\"O\", null, null], [\"-[:30]\", null, null], [\"\\\\place[:30]\", null, null], [\"\\\\place[:90]\", null, null], [\"\\\\place[:330]\", null, null], [\"\\\\eol\", null, null], [\"-:[:30]\", null, 5], [\"\\\\circle\", null, null], [\"\...
./EDU-CHMEC_MM23\train\train_00004.jpg
\chemfig{ C l -[:345] **6(- - - ( -[:345] **5( - N - ( -[:309] \chembelow { N } { H } -[:0] **6( - - - ( -[:0] N H _ { 2 } ) - - - ) ) - S - - ) ) - ( -[:45] C l ) - - ) }
\chemfig { C l -[:345] ?[a] branch( -:[:0] \circle branch) branch( -[:45] -[:345] branch( -[:45] C l branch) -[:285] branch( -[:225] -[:165] ?[a,{-}] branch) -[:345] ?[b] branch( -:[:0] \circle branch) branch( -[:45] -[:330] S -[:255] branch( -[:180] N ?[b,{-}] branch) -[:315] \Chemabove { H } { N } -[:0] ?[c] branch( ...
\chemfig { C l -[:345.0,1.0] ?[a] branch( -:[:345.0,1.0] \circle branch) branch( -[:45.0,1.0] -[:345.0,1.0] branch( -[:45.0,1.0] C l branch) -[:285.0,1.0] branch( -[:225.0,1.0] -[:165.0,1.0] ?[a,{-}] branch) -[:345.0,1.0] ?[b] branch( -:[:345.0,0.85] \circle branch) branch( -[:39.0,1.0] -[:327.0,1.0] S -[:255.0,1.0] br...
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"C\", null, null], [\"l\", null, null], [\"-[:345]\", null, null], [\"\\\\place[:45]\", null, null], [\"\\\\place[:285]\", null, null], [\"\\\\place[:345]\", null, null], [\"\\\\eol\", null, null], [\"-[:45]\", null, 5], [\"-[:345]\", null, null], [\"\\\\place...
./EDU-CHMEC_MM23\train\train_00005.jpg
\chemfig{ C l -[:330] (**6( - - - ( -[::300] (**5( - N - O - \chembelow { N } { ^ { + } } ( -[::306] O ^ { - } ) - ( -[::306] -[::300] N ?[a] -[::60] -[::300] -[::300] ( -[::300,1] -[::300] ?[a,1] ) -[::60] ) - )) ) - - - )) }
\chemfig { C l -[:330] ?[a] branch( -[:30] -[:330] -[:270] branch( -[:210] -[:150] ?[a,{-}] branch( -:[:30] \circle branch) branch) -[:330] ?[b] branch( -[:30] branch( -[:315] \Chemabove { ^ { + } } { N } branch( -[:240] O -[:165] N ?[b,{-}] branch( -:[:45] \circle branch) branch) -[:0] O ^ { - } branch) -[:75] -[:15] ...
\chemfig { C l -[:330.0,1.0] ?[a] branch( -[:30.0,1.0] -[:330.0,1.0] -[:270.0,1.0] branch( -[:210.0,1.0] -[:150.0,1.0] ?[a,{-}] branch( -:[:30.0,1.0] \circle branch) branch) -[:330.0,1.0] ?[b] branch( -[:24.0,1.0] branch( -[:312.0,1.0] \Chemabove { ^ { + } } { N } branch( -[:240.0,1.0] O -[:168.0,1.0] N ?[b,{-}] branch...
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"C\", null, null], [\"l\", null, null], [\"-[:330]\", null, null], [\"\\\\place[:30]\", null, null], [\"\\\\place[:270]\", null, null], [\"\\\\eol\", null, null], [\"-[:270]\", null, 6], [\"\\\\place[:30]\", null, null], [\"\\\\place[:330]\", null, null], [\"\...
./EDU-CHMEC_MM23\train\train_00006.jpg
\chemfig{ -[:339] O -[:279] **5( - O - ( =[:243] O ) - N ( -[:315] ( -[:15] **6( - - ( -[:315] O -[:15] **6( - - - - - - ) ) - - - - ) ) -[:255] ) - N - ) }
\chemfig { -[:345] O -[:285] ?[a] -[:225] O branch( -:[:0] \circle branch) -[:300] branch( -[:15] N branch( -[:75] N ?[a,{-}] branch) -[:315] branch( -[:15] ?[b] branch( -:[:15] \circle branch) branch( -[:75] -[:15] -[:315] -[:255] branch( -[:195] ?[b,{-}] branch) -[:315] O -[:15] ?[c] branch( -:[:15] \circle branch) b...
\chemfig { -[:339.0,1.0] O -[:279.0,1.0] ?[a] -[:225.0,1.0] O branch( -:[:351.0,0.85] \circle branch) -[:297.0,1.0] branch( -[:9.0,1.0] N branch( -[:81.0,1.0] N ?[a,{-}] branch) -[:315.0,1.0] branch( -[:15.0,1.0] ?[b] branch( -:[:15.0,1.0] \circle branch) branch( -[:75.0,1.0] -[:15.0,1.0] -[:315.0,1.0] -[:255.0,1.0] br...
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"-[:345]\", null, null], [\"O\", null, null], [\"-[:285]\", null, null], [\"\\\\place[:225]\", null, null], [\"\\\\place[:330]\", null, null], [\"\\\\eol\", null, null], [\"-[:330]\", null, 6], [\"N\", null, null], [\"-[:255]\", null, null], [\"N\", null, null...
./EDU-CHMEC_MM23\train\train_00007.jpg
\chemfig{ [:-5]**6( - N - - ( -[:15] O -[:315] ( -[:10] **6( - - ( -[:315] S ( =[:45] O ) ( =[:225] O ) -[:315] N ( -[:15] -[:315] ) -[:255] -[:315] ) - - - - ) ) =[:255] O ) - - - ) }
\chemfig { ?[a] branch( -:[:30] \circle branch) -[:90] -[:30] -[:330] branch( -[:15] O -[:315] branch( -[:15] ?[b] branch( -:[:15] \circle branch) branch( -[:75] -[:15] -[:315] -[:255] branch( -[:195] ?[b,{-}] branch) -[:315] S branch( =[:45] O branch) branch( =[:225] O branch) -[:315] N branch( -[:15] -[:315] branch) ...
\chemfig { ?[a] branch( -:[:25.0,1.0] \circle branch) -[:85.0,1.0] -[:25.0,1.0] -[:325.0,1.0] branch( -[:15.0,1.0] O -[:315.0,1.0] branch( -[:10.0,1.0] ?[b] branch( -:[:10.0,1.0] \circle branch) branch( -[:70.0,1.0] -[:10.0,1.0] -[:310.0,1.0] -[:250.0,1.0] branch( -[:190.0,1.0] ?[b,{-}] branch) -[:315.0,1.0] S branch( ...
[ "[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"\\\\place[:30]\", null, null], [\"\\\\place[:90]\", null, null], [\"\\\\place[:330]\", null, null], [\"\\\\eol\", null, null], [\"-[:90]\", null, 3], [\"-[:30]\", null, null], [\"-[:330]\", null, null], [\"\\\\place[:15]\", null, null], [\"\\\\place[:270]\", ...
./EDU-CHMEC_MM23\train\train_00008.jpg
"\\chemfig{ B r -[:30] (**6( - - - ( -[::300] O -[::300] -[::60] -[::300] -[::60] -[::300] N ?[a] -[(...TRUNCATED)
"\\chemfig { B r -[:30] ?[a] branch( -:[:30] \\circle branch) branch( -[:90] -[:30] -[:330] branch( (...TRUNCATED)
"\\chemfig { B r -[:30.0,1.0] ?[a] branch( -:[:30.0,1.0] \\circle branch) branch( -[:90.0,1.0] -[:30(...TRUNCATED)
["[[\"\\\\chemfig\", null, null], [\"{\", null, null], [\"B\", null, null], [\"r\", null, null], [\"(...TRUNCATED)
./EDU-CHMEC_MM23\train\train_00009.jpg
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YAML Metadata Warning:empty or missing yaml metadata in repo card

Check out the documentation for more information.

We now released the EDU-CHEMC dataset, which was initially proposed in Paper "Handwritten Chemical Structure Image to structure-Specific Markup Using Random Conditional Guided Decoder".

All images are in folder EDU-CHEMC. We provide an annotation json file for each image with same filename. In each json, there are three keys:

  • chemfig: the origin chemfg string annotated by humans, which can be rendered with textlive when use chemfg package
  • ssml_sd: the training target of SSSL-SD, where modeling units can be seperated by space. One can directly feed modeling units into encoder-decoder models. You can also obtain the graph format by simply parsing.
  • ssml_rcgd: the training targets of SSSL-RCGD. Since there are multiple SSSL-RCGD targets for a training image, we randomly sampled some of them so the value corresponding to this key is an array.
    • We now explain the format of SSSL-RCGD. Each training target of SSSL-RCGD is an array sorted by time step, where each element is a three-tuple (text, reconnection marks, condition input)
    • text: string, the base modeling unit
    • condition input: int, the index (start from 0) of the candidate BAU(Branch Angle Unit) to be fed into decoder at current time step
    • reconnection marks: an array, where each element is a two-tuple (reconnection index, bond type)
      • reconnection index: the index the candidate BAU which forms a reconnection with element of current time step
      • bond type: string, the bond type of reconnection
  • ssml_normed: the submission format of ICDAR2024 CROCS Competition, see https://crocs-ifly-ustc.github.io/crocs/data.html

We also provide EDU-CHEMC.vocab which contains all modeling units.

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