Version USPTO-SynPlanner data under datasets/uspto_synplan/:
- Move the existing archive, README and import metadata unchanged into uspto_synplan_old (973,640 reactions).
- Add uspto_synplan_final/passed_reactions.smi.zip (851,479 original records supporting 11,424 retained templates; inclusive popularity >=3), the extraction config and a provenance manifest.
- Explain the exact subset relationship, all 122,161 exclusions, record preservation and checksums in the dataset README; update the root/index READMEs and artifact manifest.
Validation: decompressed HF old archive SHA-256 matches the original extraction input; retained rule indices and audit entries partition all 973,640 records; final record bytes/order match the selected input and independently the audit complement. The final ZIP was read back and checked against the verified recovered SMILES hash. All three archived old files retain their original bytes. Documentation links and published archive hashes were checked locally. …
- Organize datasets and model experiments; preserve original checkpoint under uncertain (96e912a716402577792c054bcc9d8805cc04a259)
Co-authored-by: Almaz Gilmullin <Protolaw@users.noreply.huggingface.co>
