Implementation gap report
BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data
Tiqing Liu et al. · Nucleic Acids Research · 2024. Citation count: 153 from OpenAlex cited_by_count, snapshot 2026-05-26.
Specified
3
Partial
2
Missing
2
Contract files
9
Specified
Paper metadata and citation snapshot are available from OpenAlex for 2024-10-23.
The work matches the adjacent molecular ML support boundary used for OpenAlgo hub triage.
Template estimate: evaluation split wrapper.
Partial
Dataset and metric extraction still require OpenAlgo parser review before any reproduction claim.
Generated code can expose runnable scaffolding, but paper-specific hyperparameters must be confirmed by a reviewer.
Missing
No copyrighted PDF or full-paper text is stored in the hub manifest.
Official benchmark assets, split files, and random seed policy must be attached before benchmark reproduction can be claimed.
Repository
openalgo-repro-bindingdb-in-2024-a-fair-knowledgebase-of-protein-small-molecule-binding-data
Awaiting OpenAlgo generation and GitHub publication after pilot review.
- Repository status
- Not started
- Contract status
- not_started
Repository contract
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"title": "BindingDB in 2024: a FAIR knowledgebase of protein-small molecule binding data",
"doi": "10.1093/nar/gkae1075",
"hubUrl": "https://openalgo.com/hub/bindingdb-in-2024-a-fair-knowledgebase-of-protein-small-molecule-binding-data",
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"repositoryName": "openalgo-repro-bindingdb-in-2024-a-fair-knowledgebase-of-protein-small-molecule-binding-data",
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"validationStatus": "not_published",
"validationLabel": "Not published",
"gapCounts": {
"specified": 3,
"partial": 2,
"missing": 2
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"citationSource": "OpenAlex cited_by_count",
"citationSnapshotAt": "2026-05-26T00:00:00.000-07:00",
"requiredFiles": [
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"publicationNotice": "This repository is OpenAlgo-generated and is not an official author implementation unless explicitly stated by the paper authors.",
"source": "https://openalgo.com"
}Corpus decision
Accepted from the OpenAlex query snapshot after QSAR/molecular ML term filtering, then ranked by citation count.
Source queries: ADMET prediction machine learning; cheminformatics machine learning molecular property.