SynplannerChemformer / datasets /artifacts.json
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Archive original USPTO-SynPlanner data and add extraction-retained final dataset (#3)
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{
"files": [
{
"path": "datasets/absynth/raw/absynth_full_filtered_classed.csv",
"bytes": 22652814,
"sha256": "2e207a3e91d18a81c997279a079e49b6340cc7fb3fce0bae5ec3f5801f2ce376",
"provenance": "User-supplied local export; source-specific import recipe unverified."
},
{
"path": "datasets/uspto_mit/raw/molecular_transformer_data.zip",
"bytes": 276751431,
"sha256": "1724f48b07e1f8d3c7267ab50913c6e684750850a16fbb417961e8130350d0f7",
"source_url": "https://ibm.box.com/v/MolecularTransformerData"
},
{
"path": "datasets/uspto_synplan/uspto_synplan_old/uspto_synplan.smi.zip",
"bytes": 78640103,
"sha256": "8d567a31386327302b8f3dd861bb322a9d4d0e8e1e78cf17853278d4d285888d",
"provenance": "Original 973,640-reaction archive; moved unchanged from datasets/uspto_synplanner at c612c234ed708c164bf058cd0367d98c804460c5"
},
{
"path": "datasets/uspto_synplan/uspto_synplan_final/passed_reactions.smi.zip",
"bytes": 67627732,
"sha256": "cd2192c45d402ed9d7343e07dea6c2631b4a818fe653eaa07dd861af975b06ff",
"provenance": "851,479 original source records supporting 11,424 retained SynPlanner templates with popularity >=3; see datasets/uspto_synplan/README.md"
}
]
}