{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:D3TI62N2BQUVIX7657MVV7TA6Z","short_pith_number":"pith:D3TI62N2","canonical_record":{"source":{"id":"2605.22990","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-21T19:40:45Z","cross_cats_sorted":[],"title_canon_sha256":"edcf24b600480e2cb6917c54f34319cda8965ca23ee8a9926d2096225d8917f5","abstract_canon_sha256":"7ad2234a58199b841e74bf19a7fb21474d3d57f17bba523bfaf8c8d976db3594"},"schema_version":"1.0"},"canonical_sha256":"1ee68f69ba0c29545ffeefd95afe60f66180aef29cb7b0a512e5c3344ec8f7ce","source":{"kind":"arxiv","id":"2605.22990","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2605.22990","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"arxiv_version","alias_value":"2605.22990v1","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.22990","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"pith_short_12","alias_value":"D3TI62N2BQUV","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"pith_short_16","alias_value":"D3TI62N2BQUVIX76","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"pith_short_8","alias_value":"D3TI62N2","created_at":"2026-05-25T02:01:33Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:D3TI62N2BQUVIX7657MVV7TA6Z","target":"record","payload":{"canonical_record":{"source":{"id":"2605.22990","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-21T19:40:45Z","cross_cats_sorted":[],"title_canon_sha256":"edcf24b600480e2cb6917c54f34319cda8965ca23ee8a9926d2096225d8917f5","abstract_canon_sha256":"7ad2234a58199b841e74bf19a7fb21474d3d57f17bba523bfaf8c8d976db3594"},"schema_version":"1.0"},"canonical_sha256":"1ee68f69ba0c29545ffeefd95afe60f66180aef29cb7b0a512e5c3344ec8f7ce","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-25T02:01:33.442678Z","signature_b64":"bApGFJ0iz+k5RytpmpE5R2ZbJvs/n5cQTmb6jpzwXRrBE71QBjpFj6cAKBmvK194zGuppA+z9bTMq2dGAm4gAw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"1ee68f69ba0c29545ffeefd95afe60f66180aef29cb7b0a512e5c3344ec8f7ce","last_reissued_at":"2026-05-25T02:01:33.441970Z","signature_status":"signed_v1","first_computed_at":"2026-05-25T02:01:33.441970Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2605.22990","source_version":1,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-25T02:01:33Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"Xq3xVSBVRRPhOpPCE2fHaNjFvkq/zte66hwVYYYcGjj+szTTyAa95F9O05/tcSGFzjSKICTX8rVACjd58xizAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-28T04:06:02.589437Z"},"content_sha256":"4d2ece7fb2485c7c4dee598a80d78e7971f9dc33295f5732fd46677ce47f2011","schema_version":"1.0","event_id":"sha256:4d2ece7fb2485c7c4dee598a80d78e7971f9dc33295f5732fd46677ce47f2011"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:D3TI62N2BQUVIX7657MVV7TA6Z","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Drift-React: One-step Generation of Reaction Pathways via SE(3) Drifting Fields","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"physics.chem-ph","authors_text":"Philippe Schwaller, R\\'emi Schlama","submitted_at":"2026-05-21T19:40:45Z","abstract_excerpt":"Mapping reaction pathways and transition states (TS) is fundamental to chemistry but computationally expensive at scale. The minimum energy pathway (MEP) dictates reaction rates and mechanisms, yet recovering it via electronic-structure methods requires thousands of costly force evaluations. Recent generative models accelerate TS identification but rely on iterative inference and only predict isolated saddle-point snapshots, missing the continuous reaction trajectory. We introduce Drift-React, an $\\mathrm{SE}(3)$-equivariant generative framework that predicts complete reaction pathways in a si"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.22990","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2605.22990/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"},"verdict_id":null},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-25T02:01:33Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"J62v7gUD+bkrmDL7qwAna7hEcrvFDl2GS1Z5B1trcahTsM0gcghor8c25UbXoCw97OwtQQSozMvVHC0FSNiSDg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-28T04:06:02.589936Z"},"content_sha256":"a64a710869ba39f54116b9ff59beeef9d7c20a4f9512dac59b6aeaeabeb46eb3","schema_version":"1.0","event_id":"sha256:a64a710869ba39f54116b9ff59beeef9d7c20a4f9512dac59b6aeaeabeb46eb3"},{"event_type":"integrity_finding","subject_pith_number":"pith:2026:D3TI62N2BQUVIX7657MVV7TA6Z","target":"integrity","payload":{"note":"DOI in the printed bibliography is fragmented by whitespace or line breaks. A longer candidate (10.1063/1.4878664.URL) was visible in the surrounding text but could not be confirmed against doi.org as printed.","snippet":"Søren Smidstrup, Andreas Pedersen, Kurt Stokbro, and Hannes Jónsson. Im- proved initial guess for minimum energy path calculations.The Journal of Chemical Physics, 140(21), June 2014. ISSN 0021-9606. doi: 10.1063/1. 4878664. URL https://pub","arxiv_id":"2605.22990","detector":"doi_compliance","evidence":{"ref_index":46,"verdict_class":"incontrovertible","resolved_title":null,"printed_excerpt":"Søren Smidstrup, Andreas Pedersen, Kurt Stokbro, and Hannes Jónsson. Im- proved initial guess for minimum energy path calculations.The Journal of Chemical Physics, 140(21), June 2014. ISSN 0021-9606. doi: 10.1063/1. 4878664. URL https://pub","reconstructed_doi":"10.1063/1.4878664.URL"},"severity":"advisory","ref_index":46,"audited_at":"2026-05-25T05:30:18.970123Z","event_type":"pith.integrity.v1","detected_doi":"10.1063/1.4878664.URL","detector_url":"https://pith.science/pith-integrity-protocol#doi_compliance","external_url":null,"finding_type":"recoverable_identifier","evidence_hash":"db4964eca0b2b780135395ee2496b0d8a1c739e607dc829b18be5043ac355435","paper_version":1,"verdict_class":"incontrovertible","resolved_title":null,"detector_version":"1.0.0","detected_arxiv_id":null,"integrity_event_id":7399,"payload_sha256":"57ab139428252968fa686e1f8310e6b4e8d3982ece61880745d841ee46e2918f","signature_b64":"d6/1hBNiIbNBWjspzd6HQSKYFjVXhtE2e2kQckq5UKiEaUY6U+KnR+C5ChjnZ3nZdLcFrzqgY5yL3Y1PmiAaAQ==","signing_key_id":"pith-v1-2026-05"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-05-25T05:34:53Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"eP92YqGtjCGqXsNAhSIBiJDr0vWOD7nC5ZNQ5FckeazghRMRbKRYS/WixBBZme0ZKZjqAMw0QtwicG9M2czRAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-28T04:06:02.591115Z"},"content_sha256":"971ec4d56b491146518c66abee176dd10e530898cc4a12a236f19aa9222c17bb","schema_version":"1.0","event_id":"sha256:971ec4d56b491146518c66abee176dd10e530898cc4a12a236f19aa9222c17bb"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/D3TI62N2BQUVIX7657MVV7TA6Z/bundle.json","state_url":"https://pith.science/pith/D3TI62N2BQUVIX7657MVV7TA6Z/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/D3TI62N2BQUVIX7657MVV7TA6Z/bundle.json","status":"primary"}],"public_keys":[{"key_id":"pith-v1-2026-05","algorithm":"ed25519","format":"raw","public_key_b64":"stVStoiQhXFxp4s2pdzPNoqVNBMojDU/fJ2db5S3CbM=","public_key_hex":"b2d552b68890857171a78b36a5dccf368a953413288c353f7c9d9d6f94b709b3","fingerprint_sha256_b32_first128bits":"RVFV5Z2OI2J3ZUO7ERDEBCYNKS","fingerprint_sha256_hex":"8d4b5ee74e4693bcd1df2446408b0d54","rotates_at":null,"url":"https://pith.science/pith-signing-key.json","notes":"Pith uses this Ed25519 key to sign canonical record SHA-256 digests. Verify with: ed25519_verify(public_key, message=canonical_sha256_bytes, signature=base64decode(signature_b64))."}],"merge_version":"pith-open-graph-merge-v1","built_at":"2026-05-28T04:06:02Z","links":{"resolver":"https://pith.science/pith/D3TI62N2BQUVIX7657MVV7TA6Z","bundle":"https://pith.science/pith/D3TI62N2BQUVIX7657MVV7TA6Z/bundle.json","state":"https://pith.science/pith/D3TI62N2BQUVIX7657MVV7TA6Z/state.json","well_known_bundle":"https://pith.science/.well-known/pith/D3TI62N2BQUVIX7657MVV7TA6Z/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:D3TI62N2BQUVIX7657MVV7TA6Z","merge_version":"pith-open-graph-merge-v1","event_count":3,"valid_event_count":3,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"7ad2234a58199b841e74bf19a7fb21474d3d57f17bba523bfaf8c8d976db3594","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-21T19:40:45Z","title_canon_sha256":"edcf24b600480e2cb6917c54f34319cda8965ca23ee8a9926d2096225d8917f5"},"schema_version":"1.0","source":{"id":"2605.22990","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2605.22990","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"arxiv_version","alias_value":"2605.22990v1","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.22990","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"pith_short_12","alias_value":"D3TI62N2BQUV","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"pith_short_16","alias_value":"D3TI62N2BQUVIX76","created_at":"2026-05-25T02:01:33Z"},{"alias_kind":"pith_short_8","alias_value":"D3TI62N2","created_at":"2026-05-25T02:01:33Z"}],"graph_snapshots":[{"event_id":"sha256:a64a710869ba39f54116b9ff59beeef9d7c20a4f9512dac59b6aeaeabeb46eb3","target":"graph","created_at":"2026-05-25T02:01:33Z","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/2605.22990/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Mapping reaction pathways and transition states (TS) is fundamental to chemistry but computationally expensive at scale. The minimum energy pathway (MEP) dictates reaction rates and mechanisms, yet recovering it via electronic-structure methods requires thousands of costly force evaluations. Recent generative models accelerate TS identification but rely on iterative inference and only predict isolated saddle-point snapshots, missing the continuous reaction trajectory. We introduce Drift-React, an $\\mathrm{SE}(3)$-equivariant generative framework that predicts complete reaction pathways in a si","authors_text":"Philippe Schwaller, R\\'emi Schlama","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-21T19:40:45Z","title":"Drift-React: One-step Generation of Reaction Pathways via SE(3) Drifting Fields"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.22990","kind":"arxiv","version":1},"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":"sha256:4d2ece7fb2485c7c4dee598a80d78e7971f9dc33295f5732fd46677ce47f2011","target":"record","created_at":"2026-05-25T02:01:33Z","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":"7ad2234a58199b841e74bf19a7fb21474d3d57f17bba523bfaf8c8d976db3594","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2026-05-21T19:40:45Z","title_canon_sha256":"edcf24b600480e2cb6917c54f34319cda8965ca23ee8a9926d2096225d8917f5"},"schema_version":"1.0","source":{"id":"2605.22990","kind":"arxiv","version":1}},"canonical_sha256":"1ee68f69ba0c29545ffeefd95afe60f66180aef29cb7b0a512e5c3344ec8f7ce","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"1ee68f69ba0c29545ffeefd95afe60f66180aef29cb7b0a512e5c3344ec8f7ce","first_computed_at":"2026-05-25T02:01:33.441970Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-25T02:01:33.441970Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"bApGFJ0iz+k5RytpmpE5R2ZbJvs/n5cQTmb6jpzwXRrBE71QBjpFj6cAKBmvK194zGuppA+z9bTMq2dGAm4gAw==","signature_status":"signed_v1","signed_at":"2026-05-25T02:01:33.442678Z","signed_message":"canonical_sha256_bytes"},"source_id":"2605.22990","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:4d2ece7fb2485c7c4dee598a80d78e7971f9dc33295f5732fd46677ce47f2011","sha256:a64a710869ba39f54116b9ff59beeef9d7c20a4f9512dac59b6aeaeabeb46eb3","sha256:971ec4d56b491146518c66abee176dd10e530898cc4a12a236f19aa9222c17bb"],"state_sha256":"50020f9185fce3b6c696e5bb1da4368d63be79cfbd6cb6adab2e72747f3dbabb"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"zqox3tmT6w8SB7tXxrDqjBrrPz+deOk18IcVcmSkc2q5knjsNXznYgVunqBBr8jk7RNKIUoFOgME6DFsOozZBw==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-28T04:06:02.593497Z","bundle_sha256":"3752b4cdc82c7572c17217e599dc3ea8129305c9a6e08539b1bb337e4a54460b"}}