{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:OP6WY27L3UYKHT2HHHDLLHWCNQ","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":"5b457659638a081fd9d3728d463f632a04da4987dcb2862e2dbacc9b868b713d","cross_cats_sorted":["cs.LG"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-06-07T06:34:13Z","title_canon_sha256":"18dd1e7a6be6f1c79aefd4eb5b7e49fdd86493fd75a088b51c599cf38a90f679"},"schema_version":"1.0","source":{"id":"2406.08511","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2406.08511","created_at":"2026-07-05T11:03:44Z"},{"alias_kind":"arxiv_version","alias_value":"2406.08511v1","created_at":"2026-07-05T11:03:44Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2406.08511","created_at":"2026-07-05T11:03:44Z"},{"alias_kind":"pith_short_12","alias_value":"OP6WY27L3UYK","created_at":"2026-07-05T11:03:44Z"},{"alias_kind":"pith_short_16","alias_value":"OP6WY27L3UYKHT2H","created_at":"2026-07-05T11:03:44Z"},{"alias_kind":"pith_short_8","alias_value":"OP6WY27L","created_at":"2026-07-05T11:03:44Z"}],"graph_snapshots":[{"event_id":"sha256:89bcefbfbea335bd817b23893fc5a5e482f175ad18fcc0dd65ab63e0d582e2ba","target":"graph","created_at":"2026-07-05T11:03:44Z","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/2406.08511/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Diffusion models have emerged as powerful tools for molecular generation, particularly in the context of 3D molecular structures. Inspired by non-equilibrium statistical physics, these models can generate 3D molecular structures with specific properties or requirements crucial to drug discovery. Diffusion models were particularly successful at learning 3D molecular geometries' complex probability distributions and their corresponding chemical and physical properties through forward and reverse diffusion processes. This review focuses on the technical implementation of diffusion models tailored","authors_text":"Amira Alakhdar, Barnabas Poczos, Newell Washburn","cross_cats":["cs.LG"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-06-07T06:34:13Z","title":"Diffusion Models in $\\textit{De Novo}$ Drug Design"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2406.08511","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:c65ab2e53005877a344ba89b80da58f101cd3a2ec5e97a3787143ca951c9a386","target":"record","created_at":"2026-07-05T11:03:44Z","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":"5b457659638a081fd9d3728d463f632a04da4987dcb2862e2dbacc9b868b713d","cross_cats_sorted":["cs.LG"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"physics.chem-ph","submitted_at":"2024-06-07T06:34:13Z","title_canon_sha256":"18dd1e7a6be6f1c79aefd4eb5b7e49fdd86493fd75a088b51c599cf38a90f679"},"schema_version":"1.0","source":{"id":"2406.08511","kind":"arxiv","version":1}},"canonical_sha256":"73fd6c6bebdd30a3cf4739c6b59ec26c31a293cd4449d0da5b41d80defbe1894","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"73fd6c6bebdd30a3cf4739c6b59ec26c31a293cd4449d0da5b41d80defbe1894","first_computed_at":"2026-07-05T11:03:44.486799Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T11:03:44.486799Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"cTSgX2XB/ds3xaGlMyIJvxMa4ePQKD8p6GnOyWyL0Q6ufFKzKfSZ5XTIesBI5opmpbLc9VntUVu6KKHl5exOBQ==","signature_status":"signed_v1","signed_at":"2026-07-05T11:03:44.487261Z","signed_message":"canonical_sha256_bytes"},"source_id":"2406.08511","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:c65ab2e53005877a344ba89b80da58f101cd3a2ec5e97a3787143ca951c9a386","sha256:89bcefbfbea335bd817b23893fc5a5e482f175ad18fcc0dd65ab63e0d582e2ba"],"state_sha256":"b85d14ce56db1fb76f65aa33f438037badf4e1eef9c15e0ebf35c1b9f482ef04"}