{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2022:VEKRPDHSIDGI6TBBPICDAXK6GK","short_pith_number":"pith:VEKRPDHS","schema_version":"1.0","canonical_sha256":"a915178cf240cc8f4c217a04305d5e32a2a45a92a73a826c6a2ee3da5fe5fbcd","source":{"kind":"arxiv","id":"2203.14090","version":1},"attestation_state":"computed","paper":{"title":"RadonPy: Automated Physical Property Calculation using All-atom Classical Molecular Dynamics Simulations for Polymer Informatics","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Junichiro Shiomi, Junko Morikawa, Ryo Yoshida, Yoshihiro Hayashi","submitted_at":"2022-03-26T14:26:08Z","abstract_excerpt":"The rapid growth of data-driven materials research has made it necessary to develop systematically designed, open databases of material properties. However, there are few open databases for polymeric materials compared to other material systems such as inorganic crystals. To this end, we developed RadonPy, the world-first open-source Python library for fully automated all-atom classical molecular dynamics (MD) simulations. For a given polymer repeating unit, the entire process of molecular modeling, equilibrium and nonequilibrium MD calculations, and property calculations can be conducted full"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"2203.14090","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2022-03-26T14:26:08Z","cross_cats_sorted":["cond-mat.soft","physics.comp-ph"],"title_canon_sha256":"1dc045b845b17c26c319d0c523bd88fb367412f7a55c217e64159e1504ad6648","abstract_canon_sha256":"278101dfea244f28310c5bb2ff10aee03cc2cbbd72f309cac63a5139020528d8"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T05:15:59.647961Z","signature_b64":"6F1b7OhK1G+4Knh/dh3/xHq6ZaCwjMU9iYeR4+zD0AYiRGwg2e0XS+W23aKHaGSse2wrdkg4GjtIXtN+c8fZBw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"a915178cf240cc8f4c217a04305d5e32a2a45a92a73a826c6a2ee3da5fe5fbcd","last_reissued_at":"2026-07-05T05:15:59.647479Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T05:15:59.647479Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"RadonPy: Automated Physical Property Calculation using All-atom Classical Molecular Dynamics Simulations for Polymer Informatics","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cond-mat.soft","physics.comp-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Junichiro Shiomi, Junko Morikawa, Ryo Yoshida, Yoshihiro Hayashi","submitted_at":"2022-03-26T14:26:08Z","abstract_excerpt":"The rapid growth of data-driven materials research has made it necessary to develop systematically designed, open databases of material properties. However, there are few open databases for polymeric materials compared to other material systems such as inorganic crystals. To this end, we developed RadonPy, the world-first open-source Python library for fully automated all-atom classical molecular dynamics (MD) simulations. For a given polymer repeating unit, the entire process of molecular modeling, equilibrium and nonequilibrium MD calculations, and property calculations can be conducted full"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2203.14090","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/2203.14090/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"},"aliases":[{"alias_kind":"arxiv","alias_value":"2203.14090","created_at":"2026-07-05T05:15:59.647540+00:00"},{"alias_kind":"arxiv_version","alias_value":"2203.14090v1","created_at":"2026-07-05T05:15:59.647540+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2203.14090","created_at":"2026-07-05T05:15:59.647540+00:00"},{"alias_kind":"pith_short_12","alias_value":"VEKRPDHSIDGI","created_at":"2026-07-05T05:15:59.647540+00:00"},{"alias_kind":"pith_short_16","alias_value":"VEKRPDHSIDGI6TBB","created_at":"2026-07-05T05:15:59.647540+00:00"},{"alias_kind":"pith_short_8","alias_value":"VEKRPDHS","created_at":"2026-07-05T05:15:59.647540+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK","json":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK.json","graph_json":"https://pith.science/api/pith-number/VEKRPDHSIDGI6TBBPICDAXK6GK/graph.json","events_json":"https://pith.science/api/pith-number/VEKRPDHSIDGI6TBBPICDAXK6GK/events.json","paper":"https://pith.science/paper/VEKRPDHS"},"agent_actions":{"view_html":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK","download_json":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK.json","view_paper":"https://pith.science/paper/VEKRPDHS","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2203.14090&json=true","fetch_graph":"https://pith.science/api/pith-number/VEKRPDHSIDGI6TBBPICDAXK6GK/graph.json","fetch_events":"https://pith.science/api/pith-number/VEKRPDHSIDGI6TBBPICDAXK6GK/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK/action/timestamp_anchor","attest_storage":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK/action/storage_attestation","attest_author":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK/action/author_attestation","sign_citation":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK/action/citation_signature","submit_replication":"https://pith.science/pith/VEKRPDHSIDGI6TBBPICDAXK6GK/action/replication_record"}},"created_at":"2026-07-05T05:15:59.647540+00:00","updated_at":"2026-07-05T05:15:59.647540+00:00"}