{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2025:4U3YUJDC22I5DOG3M3NGPPAJPB","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"4cbbd1a4f85460eb5b8b4f56d0eb1249f2601ca51ca9e1778ebccc2565629b81","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"cs.LG","submitted_at":"2025-07-29T12:47:47Z","title_canon_sha256":"6f3f0f7a4bf37759f9e1758cc6f3d86923d5ec3e3d44ad8451b7a1c69791ea65"},"schema_version":"1.0","source":{"id":"2507.21762","kind":"arxiv","version":2}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2507.21762","created_at":"2026-07-05T11:45:39Z"},{"alias_kind":"arxiv_version","alias_value":"2507.21762v2","created_at":"2026-07-05T11:45:39Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2507.21762","created_at":"2026-07-05T11:45:39Z"},{"alias_kind":"pith_short_12","alias_value":"4U3YUJDC22I5","created_at":"2026-07-05T11:45:39Z"},{"alias_kind":"pith_short_16","alias_value":"4U3YUJDC22I5DOG3","created_at":"2026-07-05T11:45:39Z"},{"alias_kind":"pith_short_8","alias_value":"4U3YUJDC","created_at":"2026-07-05T11:45:39Z"}],"graph_snapshots":[{"event_id":"sha256:d1b612ebf19aee5190273571e690f712a013ddc30e058a6e9fb1309a6edac0b5","target":"graph","created_at":"2026-07-05T11:45:39Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2507.21762/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Retrosynthesis planning remains a central challenge in molecular discovery due to the vast and complex chemical reaction space. While traditional template-based methods offer tractability, they suffer from poor scalability and limited generalization, and template-free generative approaches risk generating invalid reactions. In this work, we propose TempRe, a generative framework that reformulates template-based approaches as sequence generation, enabling scalable, flexible, and chemically plausible retrosynthesis. We evaluated TempRe across single-step and multi-step retrosynthesis tasks, demo","authors_text":"Daniel P Armstrong, Nguyen Xuan-Vu, Philippe Schwaller, Zlatko Jon\\v{c}ev","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"cs.LG","submitted_at":"2025-07-29T12:47:47Z","title":"TempRe: Template generation for single and direct multi-step retrosynthesis"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2507.21762","kind":"arxiv","version":2},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:5ae13e389d41040c6ec3b60c4ff35c1aa1161a23991ab05a6f5ef6c3bb2d3585","target":"record","created_at":"2026-07-05T11:45:39Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"4cbbd1a4f85460eb5b8b4f56d0eb1249f2601ca51ca9e1778ebccc2565629b81","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-sa/4.0/","primary_cat":"cs.LG","submitted_at":"2025-07-29T12:47:47Z","title_canon_sha256":"6f3f0f7a4bf37759f9e1758cc6f3d86923d5ec3e3d44ad8451b7a1c69791ea65"},"schema_version":"1.0","source":{"id":"2507.21762","kind":"arxiv","version":2}},"canonical_sha256":"e5378a2462d691d1b8db66da67bc09785ad457ceeff6565ad33f4cee480e35d3","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"e5378a2462d691d1b8db66da67bc09785ad457ceeff6565ad33f4cee480e35d3","first_computed_at":"2026-07-05T11:45:39.040505Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:45:39.040505Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"1wFB3uB2zdHOx0Yxgr4PICsNOHeXtJLpXxWiQe8A7PQqzAn91lj6cIgXp5RVGp32JtU0/mHEo35ZKbu5wlYdAA==","signature_status":"signed_v1","signed_at":"2026-07-05T11:45:39.041006Z","signed_message":"canonical_sha256_bytes"},"source_id":"2507.21762","source_kind":"arxiv","source_version":2}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:5ae13e389d41040c6ec3b60c4ff35c1aa1161a23991ab05a6f5ef6c3bb2d3585","sha256:d1b612ebf19aee5190273571e690f712a013ddc30e058a6e9fb1309a6edac0b5"],"state_sha256":"c4d1d6551b368dad338639038bbba6eac4deaec63feb5b96bb03216ca93c9683"}