source stringclasses 4
values | source_id stringlengths 1 30 | images listlengths 1 1 | messages listlengths 2 2 |
|---|---|---|---|
mg1_synthetic | 217320 | [
"images/mg1_synthetic/train/217320.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Z</r>C1=... |
mg1_synthetic | 1804528 | [
"images/mg1_synthetic/train/1804528.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R</r>C(<... |
molscribe | US07135476-20061114-C00014 | [
"images/molscribe/train/US07135476-20061114-C00014.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt.\nThis image is an ordinary molecule with no Markush extension annotations; return onl... |
mg1_synthetic | 2625827 | [
"images/mg1_synthetic/train/2625827.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>Cc1nccn1-c1... |
uspto_mol_m | 15786 | [
"images/uspto_mol_m/train/15786.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Rv)n</r>C.CC1=C... |
mg1_synthetic | 1184381 | [
"images/mg1_synthetic/train/1184381.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>Nc1nc(P(=O)... |
mg1_synthetic | 678891 | [
"images/mg1_synthetic/train/678891.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Y6</r>CC... |
uspto_mol_m | 9600 | [
"images/uspto_mol_m/train/9600.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R11</r>C.<r>_AP... |
uspto_mol_m | 6189 | [
"images/uspto_mol_m/train/6189.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>_AP</r>C1CN1<r>... |
mg1_synthetic | 1361408 | [
"images/mg1_synthetic/train/1361408.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Rz</r>C.... |
mg1_synthetic | 1163285 | [
"images/mg1_synthetic/train/1163285.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>J''</r>B... |
mg1_synthetic | 236263 | [
"images/mg1_synthetic/train/236263.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>B1CCOC(CN2C... |
mg1_synthetic | 2226664 | [
"images/mg1_synthetic/train/2226664.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>V08</r>=... |
mg1_synthetic | 2129968 | [
"images/mg1_synthetic/train/2129968.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>G'</r>C(... |
mg1_synthetic | 2731766 | [
"images/mg1_synthetic/train/2731766.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>CC(C<r>Rc</... |
mg1_synthetic | 885113 | [
"images/mg1_synthetic/train/885113.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>Cc1c(Cl)cc(... |
mg1_synthetic | 2024422 | [
"images/mg1_synthetic/train/2024422.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Rz</r>C.... |
molparser | molparser-markush_train_015397 | [
"images/molparser/train/molparser-markush_train_015397.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 2960120 | [
"images/mg1_synthetic/train/2960120.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>U81</r>C... |
molparser | molparser-markush_train_079590 | [
"images/molparser/train/molparser-markush_train_079590.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 1047188 | [
"images/mg1_synthetic/train/1047188.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Ro</r>C.... |
uspto_mol_m | 25210 | [
"images/uspto_mol_m/train/25210.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>A</r>.<r>W</r>C... |
molparser | molparser-markush_train_051147 | [
"images/molparser/train/molparser-markush_train_051147.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 22582 | [
"images/mg1_synthetic/train/22582.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>CCC1(CC(=O)... |
mg1_synthetic | 3142161 | [
"images/mg1_synthetic/train/3142161.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R</r>C.<... |
mg1_synthetic | 1562407 | [
"images/mg1_synthetic/train/1562407.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Ro</r>N(... |
uspto_mol_m | 36323 | [
"images/uspto_mol_m/train/36323.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R</r>C1CC(<r>R2... |
mg1_synthetic | 3185806 | [
"images/mg1_synthetic/train/3185806.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Rp</r>C.... |
uspto_mol_m | 9268 | [
"images/uspto_mol_m/train/9268.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>_AP</r>NCC(=O)N... |
mg1_synthetic | 2743772 | [
"images/mg1_synthetic/train/2743772.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>V''</r>=... |
mg1_synthetic | 1067738 | [
"images/mg1_synthetic/train/1067738.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Q6</r>C.... |
mg1_synthetic | 2559654 | [
"images/mg1_synthetic/train/2559654.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>CCC(C#CC(CC... |
molscribe | US06969719-20051129-C00159 | [
"images/molscribe/train/US06969719-20051129-C00159.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt.\nThis image is an ordinary molecule with no Markush extension annotations; return onl... |
molparser | molparser-markush_train_079214 | [
"images/molparser/train/molparser-markush_train_079214.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 2015256 | [
"images/mg1_synthetic/train/2015256.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>C<r>R</r>C1... |
mg1_synthetic | 2859584 | [
"images/mg1_synthetic/train/2859584.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>NOS(=O)(=O)... |
mg1_synthetic | 2934010 | [
"images/mg1_synthetic/train/2934010.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>C<r>W6</r>C... |
mg1_synthetic | 1609817 | [
"images/mg1_synthetic/train/1609817.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R</r>C.<... |
uspto_mol_m | 47181 | [
"images/uspto_mol_m/train/47181.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>_AP</r><r>x'</r... |
mg1_synthetic | 836367 | [
"images/mg1_synthetic/train/836367.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>E</r>=C1... |
molparser | molparser-markush_train_054610 | [
"images/molparser/train/molparser-markush_train_054610.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 1967168 | [
"images/mg1_synthetic/train/1967168.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>CC1CC(SO)<r... |
molparser | molparser-markush_train_046967 | [
"images/molparser/train/molparser-markush_train_046967.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
uspto_mol_m | 41560 | [
"images/uspto_mol_m/train/41560.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>[C38]</r>.<r>A<... |
mg1_synthetic | 1440210 | [
"images/mg1_synthetic/train/1440210.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R</r>C.<... |
molparser | molparser-markush_train_059685 | [
"images/molparser/train/molparser-markush_train_059685.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
molparser | molparser-markush_train_047215 | [
"images/molparser/train/molparser-markush_train_047215.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
uspto_mol_m | 53393 | [
"images/uspto_mol_m/train/53393.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R3</r>C.<r>R8</... |
mg1_synthetic | 2654687 | [
"images/mg1_synthetic/train/2654687.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R5</r>C.... |
molparser | molparser-markush_train_033298 | [
"images/molparser/train/molparser-markush_train_033298.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 777388 | [
"images/mg1_synthetic/train/777388.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>E</r>=P(... |
uspto_mol_m | 29075 | [
"images/uspto_mol_m/train/29075.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Z1</r><r>L1</r>... |
mg1_synthetic | 526935 | [
"images/mg1_synthetic/train/526935.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Y6</r>C<... |
mg1_synthetic | 2319057 | [
"images/mg1_synthetic/train/2319057.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>O=C1Nc2cscc... |
molparser | molparser-markush_train_013188 | [
"images/molparser/train/molparser-markush_train_013188.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 2635614 | [
"images/mg1_synthetic/train/2635614.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>CC(C)<r>Q3<... |
molscribe | US06384034-20020507-C00003 | [
"images/molscribe/train/US06384034-20020507-C00003.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt.\nThis image is an ordinary molecule with no Markush extension annotations; return onl... |
uspto_mol_m | 30248 | [
"images/uspto_mol_m/train/30248.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Trastuzumab</r>... |
uspto_mol_m | 11190 | [
"images/uspto_mol_m/train/11190.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R1</r>c1cc(=O)n... |
mg1_synthetic | 3152895 | [
"images/mg1_synthetic/train/3152895.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>C=N/<r>R</r... |
mg1_synthetic | 1006075 | [
"images/mg1_synthetic/train/1006075.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>Cc1cc(N(C(N... |
uspto_mol_m | 45133 | [
"images/uspto_mol_m/train/45133.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R1a</r><r>R1</r... |
mg1_synthetic | 711448 | [
"images/mg1_synthetic/train/711448.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R5</r>C(... |
mg1_synthetic | 1440501 | [
"images/mg1_synthetic/train/1440501.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>K2</r>c1... |
molparser | molparser-markush_train_018893 | [
"images/molparser/train/molparser-markush_train_018893.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 1485010 | [
"images/mg1_synthetic/train/1485010.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R</r>C.<... |
uspto_mol_m | 31642 | [
"images/uspto_mol_m/train/31642.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R2</r>C.<r>Q</r... |
mg1_synthetic | 2117240 | [
"images/mg1_synthetic/train/2117240.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Ro</r>C.... |
mg1_synthetic | 836744 | [
"images/mg1_synthetic/train/836744.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R1</r>=C... |
mg1_synthetic | 1254471 | [
"images/mg1_synthetic/train/1254471.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>G69</r>C... |
uspto_mol_m | 25306 | [
"images/uspto_mol_m/train/25306.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R6</r>C.<r>R4</... |
mg1_synthetic | 1025460 | [
"images/mg1_synthetic/train/1025460.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>C<r>L62</r>... |
molscribe | US06590120-20030708-C00009 | [
"images/molscribe/train/US06590120-20030708-C00009.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt.\nThis image is an ordinary molecule with no Markush extension annotations; return onl... |
mg1_synthetic | 1324841 | [
"images/mg1_synthetic/train/1324841.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R4</r>=C... |
mg1_synthetic | 565930 | [
"images/mg1_synthetic/train/565930.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>CC(=O)NC1C(... |
molparser | molparser-markush_train_049838 | [
"images/molparser/train/molparser-markush_train_049838.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 39627 | [
"images/mg1_synthetic/train/39627.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Rw</r>C.... |
mg1_synthetic | 1586406 | [
"images/mg1_synthetic/train/1586406.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>C<r>Y3</r>1... |
molparser | molparser-markush_train_056724 | [
"images/molparser/train/molparser-markush_train_056724.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
uspto_mol_m | 43505 | [
"images/uspto_mol_m/train/43505.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R</r>C.<r>R'</r... |
molparser | molparser-markush_train_031998 | [
"images/molparser/train/molparser-markush_train_031998.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
mg1_synthetic | 886613 | [
"images/mg1_synthetic/train/886613.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>COc1cc(Cl)c... |
uspto_mol_m | 48843 | [
"images/uspto_mol_m/train/48843.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R22</r>C.<r>RX<... |
mg1_synthetic | 3068273 | [
"images/mg1_synthetic/train/3068273.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R9</r>C1... |
mg1_synthetic | 510638 | [
"images/mg1_synthetic/train/510638.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>N=C(N)CC(=O... |
molparser | molparser-markush_train_082255 | [
"images/molparser/train/molparser-markush_train_082255.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
molscribe | US07416830-20080826-C00011 | [
"images/molscribe/train/US07416830-20080826-C00011.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt.\nThis image is an ordinary molecule with no Markush extension annotations; return onl... |
uspto_mol_m | 49946 | [
"images/uspto_mol_m/train/49946.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R2</r>C.<r>_AP<... |
mg1_synthetic | 2056033 | [
"images/mg1_synthetic/train/2056033.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>V''</r>1... |
mg1_synthetic | 1251463 | [
"images/mg1_synthetic/train/1251463.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>E</r>=C(... |
mg1_synthetic | 436674 | [
"images/mg1_synthetic/train/436674.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>CC1S<r>Rv</... |
uspto_mol_m | 47897 | [
"images/uspto_mol_m/train/47897.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R1</r>C.<r>R2</... |
molscribe | US06391905-20020521-C00004 | [
"images/molscribe/train/US06391905-20020521-C00004.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt.\nThis image is an ordinary molecule with no Markush extension annotations; return onl... |
mg1_synthetic | 21557 | [
"images/mg1_synthetic/train/21557.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>Z83</r>C... |
mg1_synthetic | 854478 | [
"images/mg1_synthetic/train/854478.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>R47</r>C... |
uspto_mol_m | 42623 | [
"images/uspto_mol_m/train/42623.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>OMs</r>CCOCCOC|... |
mg1_synthetic | 665346 | [
"images/mg1_synthetic/train/665346.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>CC(=O)OC1C(... |
mg1_synthetic | 2115166 | [
"images/mg1_synthetic/train/2115166.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this patent image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi><r>M''</r>C... |
molparser | molparser-markush_train_017845 | [
"images/molparser/train/molparser-markush_train_017845.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
molparser | molparser-markush_train_026575 | [
"images/molparser/train/molparser-markush_train_026575.png"
] | [
{
"role": "user",
"content": "<image>\nExtract the Markush structure from this MolParser-Markush image.\nTarget format: return <markush><cxsmi>...</cxsmi><stable>...</stable></markush>; the <cxsmi> value must use canonicalized cxsmiles_opt."
},
{
"role": "assistant",
"content": "<markush><cxsmi>... |
End of preview. Expand in Data Studio
glyph-datasets
Data artifacts for Glyph — chemical-structure transcription with two models:
OCSRGlyph (molecule image → SMILES) and MarkushGlyph (patent Markush
image → CXSMILES + R-group table). This repository holds the training indices,
training metadata, and the frozen self-contained evaluation benchmarks that the
glyph package auto-downloads.
- Code:
EdisonScientific/glyph(GitHub) - Weights:
EdisonScientific/OCSRGlyph,EdisonScientific/MarkushGlyph - License: Apache-2.0. See License.
- Citation: TBD — the BibTeX entry and arXiv identifier will be added on release. See Citation.
Redistribution classes
Artifacts fall into three classes; every subdirectory README.md /
*.provenance.json sidecar records the class per file.
- (a) Referenced upstream — pulled from the pinned public source at load time and not re-hosted here (the raw OCSR training images, the MolNexTR CSVs, the raw Markush source images).
- (b) Transformed metadata — derived label / index / subset files (SMILES +
relative paths, the mined
adjacent_ringsubset, the flat Markush training index). These carry no upstream image bytes. - (c) Embedded copies — the frozen self-contained eval parquets, which do
embed the benchmark images and labels so
glyph … evalruns with no local reconstruction: the 5,719 OCSR benchmark images (ocsr/uspto_ocsr_benchmark.parquet) and the 1,055 Markush eval images (878 + 103 + 74 across the threemarkush-eval/*parquets). These images are public-domain USPTO patent depictions / the pinned public MarkushGrapher-2 benchmark; they are re-hosted only inside these frozen benchmark copies.
Artifact map
| Path | Rows | Class | Purpose |
|---|---|---|---|
ocsr/uspto_ocsr_5719_complete.csv |
5,719 | (b) | USPTO-OCSR-5719 complete labels (label sidecar). |
ocsr/uspto_ocsr_benchmark.parquet |
5,719 | (c) | Frozen self-contained OCSR benchmark (images + labels embedded); the file glyph ocsr eval downloads. |
ocsr/adjacent_ring.csv |
64,752 | (b) | This work: pure-logic mined subset of PubChem-1M (OCSR enrichment). |
ocsr/stereo_200k/{train,val}.csv |
200,000 / 2,000 | (b) | Stereo-200K SMILES + relative image paths (images re-fetched). |
ocsr/stereo_200k_white/{train,val}.csv |
200,000 / 2,000 | (b) | White-cropped Stereo-200K variant (this work's preprocessing). |
ocsr/ocsrglyph-recipe.json |
— | — | OCSRGlyph training recipe (hyperparameters). |
markush/train.jsonl |
263,158 | (b) | Frozen flat MarkushGlyph training index (exact order, repeats intact). |
markush/manifest.json |
— | — | Flat-index metadata (schema, counts, source revisions, integrity). |
markush-eval/ip5m/ip5m_benchmark.parquet |
878 | (c) | Frozen self-contained IP5-M eval benchmark (images embedded). |
markush-eval/ip5m/ds4sd_mg2_predictions_878.jsonl |
878 | (b) | DS4SD MarkushGrapher-2's own IP5-M eval output: ground truth + MG2 baseline. |
markush-eval/m2s/m2s_benchmark.parquet |
103 | (c) | Frozen self-contained M2S eval benchmark (images embedded). |
markush-eval/m2s/ds4sd_mg2_gt_103.jsonl |
103 | (b) | Derived M2S ground truth for the official DS4SD scorer. |
markush-eval/uspto_markush/uspto_markush_benchmark.parquet |
74 | (c) | Frozen self-contained USPTO-Markush eval benchmark (images embedded). |
markush-eval/uspto_markush/ds4sd_mg2_gt_74.jsonl |
74 | (b) | Derived USPTO-Markush ground truth for the official DS4SD scorer. |
Every data artifact has a companion *.provenance.json (source repo + pinned
revision, transformation, counts, integrity hash). Row counts are data rows;
each CSV also carries a 1-line header.
Per-artifact schemas
OCSR
uspto_ocsr_5719_complete.csv—image_id, smiles, source_of_label.uspto_ocsr_benchmark.parquet—id, image (struct<bytes, path>), mol, smiles, selfies, inchi, source_of_label; image bytes present for all 5,719 rows, zero null SMILES.adjacent_ring.csv—pubchem_cid, InChI, SMILES, num_atoms.stereo_200k/*.csv,stereo_200k_white/*.csv—SMILES, file_path(relative image path; images re-fetched fromRobert-zwr/Stereo-200k).
Markush
train.jsonl— one JSON object per line:source,source_id,images(list ofimages/<source>/train/<source_id>.png),messages(auser+assistantchat turn). Seemanifest.jsonfor the full contract, per-source counts, and source revisions.
Markush eval
*_benchmark.parquet—id, image (struct<bytes, path>), benchmark, record(recordis the JSON of the prepared eval row); image bytes present for all rows.ip5m/ds4sd_mg2_predictions_878.jsonl—id, cxsmiles(MG2 baseline prediction),cxsmiles_opt, gt_cxsmiles(DS4SD ground truth; 8 unparseable rows kept as null),gt_cxsmiles_opt.m2s/ds4sd_mg2_gt_103.jsonl,uspto_markush/ds4sd_mg2_gt_74.jsonl—id, gt_cxsmiles, gt_cxsmiles_opt(derived ground truth; no MG2 baseline column, since no DS4SD model run is published for these two benchmarks).
Usage
The glyph package resolves these artifacts automatically — no manual
huggingface-cli step.
# OCSR headline: the benchmark parquet auto-downloads from this repo.
uv run glyph ocsr eval --checkpoint EdisonScientific/OCSRGlyph --output uspto5719.json
# Markush: the self-contained benchmark auto-downloads; STEP 2 auto-pulls the
# matching ground truth from markush-eval/<name>/.
uv run glyph markush eval benchmark --benchmark ip5m \
--checkpoint EdisonScientific/MarkushGlyph --base-model Qwen/Qwen3.5-2B-Base \
--output preds.json
tools/mg2_scorer/score_benchmark.sh --benchmark ip5m --input-json preds.json
# Markush training: the flat index auto-downloads with hub:markush/train.jsonl.
uv run python -m glyph.markush.train.sft \
--config configs/ablations/ocsr-as-markush-fraction/sft_2b_markush_ocsr5pct.yaml \
--data-path hub:markush/train.jsonl
See the code repository's REPRODUCE.md for the exact commands, expected
counts, pinned revisions, and both Markush scoring contracts.
License
Apache-2.0 (same as the code repository). Each referenced upstream source keeps
its own license — see the per-subdirectory
README.md and *.provenance.json sidecars for attribution (PubChem, MolNexTR,
MolSight/Stereo-200K, MolScribe, hheiden/USPTO_OCSR_benchmark,
docling-project/MarkushGrapher-Datasets and -2-Datasets,
UniParser/MolParser-7M). The embedded benchmark images are public-domain USPTO
patent depictions / the pinned public MarkushGrapher-2 benchmark.
Citation
TBD. This data accompanies the paper Chemical Structure Transcription Across Molecules; the BibTeX entry and arXiv identifier will be added on release.
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