{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2022:2A66WKECLX2IGNNUGZYCQFMGYM","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":"d60f720695b7bdf3d3fe13b15abdf465755ca0bcfb47e5b95fd033f667becb39","cross_cats_sorted":["cs.GR"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"q-bio.QM","submitted_at":"2022-09-23T14:17:40Z","title_canon_sha256":"ada9a4964d5c7b0e172a2531019e471225b049412e37b8124b62411208a3f7be"},"schema_version":"1.0","source":{"id":"2209.11771","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2209.11771","created_at":"2026-07-05T05:02:44Z"},{"alias_kind":"arxiv_version","alias_value":"2209.11771v1","created_at":"2026-07-05T05:02:44Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2209.11771","created_at":"2026-07-05T05:02:44Z"},{"alias_kind":"pith_short_12","alias_value":"2A66WKECLX2I","created_at":"2026-07-05T05:02:44Z"},{"alias_kind":"pith_short_16","alias_value":"2A66WKECLX2IGNNU","created_at":"2026-07-05T05:02:44Z"},{"alias_kind":"pith_short_8","alias_value":"2A66WKEC","created_at":"2026-07-05T05:02:44Z"}],"graph_snapshots":[{"event_id":"sha256:66d43a8b46e47d8d191b3a0a31f22ccf2f5f0fdd9812e9bd682f09b5410bff3a","target":"graph","created_at":"2026-07-05T05:02:44Z","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/2209.11771/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We present sMolBoxes, a dataflow representation for the exploration and analysis of long molecular dynamics (MD) simulations. When MD simulations reach millions of snapshots, a frame-by-frame observation is not feasible anymore. Thus, biochemists rely to a large extent only on quantitative analysis of geometric and physico-chemical properties. However, the usage of abstract methods to study inherently spatial data hinders the exploration and poses a considerable workload. sMolBoxes link quantitative analysis of a user-defined set of properties with interactive 3D visualizations. They enable vi","authors_text":"Barbora Kozlikova, David Bedn\\'a\\v{r}, Jan By\\v{s}ka, Katar\\'ina Furmanov\\'a, Manuela Waldner, Pavol Ulbrich, S\\'ergio M. Marques","cross_cats":["cs.GR"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"q-bio.QM","submitted_at":"2022-09-23T14:17:40Z","title":"sMolBoxes: Dataflow Model for Molecular Dynamics Exploration"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2209.11771","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:d197270e7bd5fdc84718bb62751d48658ba26bc4991d72286ecba492d3bdb480","target":"record","created_at":"2026-07-05T05:02:44Z","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":"d60f720695b7bdf3d3fe13b15abdf465755ca0bcfb47e5b95fd033f667becb39","cross_cats_sorted":["cs.GR"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"q-bio.QM","submitted_at":"2022-09-23T14:17:40Z","title_canon_sha256":"ada9a4964d5c7b0e172a2531019e471225b049412e37b8124b62411208a3f7be"},"schema_version":"1.0","source":{"id":"2209.11771","kind":"arxiv","version":1}},"canonical_sha256":"d03deb28825df48335b43670281586c314f79703dbc03e0cbc7e0bf94551b9b3","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"d03deb28825df48335b43670281586c314f79703dbc03e0cbc7e0bf94551b9b3","first_computed_at":"2026-07-05T05:02:44.622768Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T05:02:44.622768Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"3IwjZdX+cJSGtnMaCYOPv8T5LSwjy8tbfuN4tUEiW1aPj5jLMwL+wJ+X4fVUwiWFPEklCF+9HiWHQ2Gn1GebCw==","signature_status":"signed_v1","signed_at":"2026-07-05T05:02:44.623176Z","signed_message":"canonical_sha256_bytes"},"source_id":"2209.11771","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:d197270e7bd5fdc84718bb62751d48658ba26bc4991d72286ecba492d3bdb480","sha256:66d43a8b46e47d8d191b3a0a31f22ccf2f5f0fdd9812e9bd682f09b5410bff3a"],"state_sha256":"02d20c05f62f79015c6256f78501b7c75cd94110ae9b49eccd5464410d140530"}