README.md

metadata

license: cc-by-nc-4.0
tags:
  - syntheseus
  - reaction-prediction
  - retrosynthesis
  - forward-reaction-prediction
pretty_name: Syntheseus runtime bundles and route-data artifacts

Syntheseus runtime bundles and route-data artifacts

This dataset repository mirrors the published Syntheseus generated runtime tree directly.

Upload these generated paths to the repo root

• checkpoints (62633546564 bytes, 615 files)
• paroutes2 (2554916434 bytes, 18 files)
• pdvn_uspto (5227472750 bytes, 18 files)

Model families

• aizynthfinder
• askcos_retro_augmented_transformer
• askcos_retro_graph2smiles
• askcos_retro_template_relevance
• chemformer
• reactiont5v2
• rsgpt
• retrochimera_template
• retrochimera_transformer
• retrochimera_hybrid
• reactiont5v2_forward
• chemformer_forward
• molecular_transformer_forward

Licensing note

Most bundle metadata is published under the dataset-card license. Individual upstream model artifacts may carry stricter terms recorded in their package manifest.json and provenance.json; notably ASKCOS Reaxys-derived model archives are marked CC-BY-NC-4.0/non-commercial where applicable.

Client install

After publication, replace the placeholder repo_id inside generated/release_manifest.client.json and copy that file to syntheseus_wrappers/release_manifest.json.