{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2026:3BRXEQ3WF5VANASPKFZKJGANVJ","short_pith_number":"pith:3BRXEQ3W","schema_version":"1.0","canonical_sha256":"d8637243762f6a06824f5172a4980daa7641a979bd3c6a6dba1e00a8ba196bc2","source":{"kind":"arxiv","id":"2606.13477","version":1},"attestation_state":"computed","paper":{"title":"SupraBench: A Benchmark for Supramolecular Chemistry","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cs.AI","cs.CL"],"primary_cat":"cs.LG","authors_text":"Chuxu Zhang, Connor R. Schmidt, Matthew J. Webber, Tianyi Ma, Weixiang Sun, Yanfang Ye, Yijun Ma, Zehong Wang, Ziming Li","submitted_at":"2026-06-11T15:29:56Z","abstract_excerpt":"Supramolecular chemistry, which includes the study of non-covalent host-guest assemblies, has advanced various applications. However, designing host-guest systems remains time-consuming, requiring days of dry-lab verification per candidate pair. Although LLMs have emerged as a fast alternative with strong performance on molecular binding tasks, no benchmark currently systematically evaluates LLMs for host-guest reasoning across fundamental supramolecular chemistry tasks, e.g., binding affinity prediction. To this end, we collaborate with domain experts to release the first Supramolecular Bench"},"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":"2606.13477","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2026-06-11T15:29:56Z","cross_cats_sorted":["cs.AI","cs.CL"],"title_canon_sha256":"d9b1c367a816f900e35ac4862b54a6968cc962b36b05ddc5b79f499afb1bbba0","abstract_canon_sha256":"4a77de3bf6f812bdde46599b8771688e049e0fb60f260d875f78320b5eaf3851"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-06-12T01:10:05.666898Z","signature_b64":"hGOYRJ5W6DKQb1rnrNjvjHqk3+cunV2xuBvy4lAlcJpILeSRlItrvu98m7MvhGzDqXymK0TFZF/Kx5TfMoNoAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"d8637243762f6a06824f5172a4980daa7641a979bd3c6a6dba1e00a8ba196bc2","last_reissued_at":"2026-06-12T01:10:05.665973Z","signature_status":"signed_v1","first_computed_at":"2026-06-12T01:10:05.665973Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"SupraBench: A Benchmark for Supramolecular Chemistry","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["cs.AI","cs.CL"],"primary_cat":"cs.LG","authors_text":"Chuxu Zhang, Connor R. Schmidt, Matthew J. Webber, Tianyi Ma, Weixiang Sun, Yanfang Ye, Yijun Ma, Zehong Wang, Ziming Li","submitted_at":"2026-06-11T15:29:56Z","abstract_excerpt":"Supramolecular chemistry, which includes the study of non-covalent host-guest assemblies, has advanced various applications. However, designing host-guest systems remains time-consuming, requiring days of dry-lab verification per candidate pair. Although LLMs have emerged as a fast alternative with strong performance on molecular binding tasks, no benchmark currently systematically evaluates LLMs for host-guest reasoning across fundamental supramolecular chemistry tasks, e.g., binding affinity prediction. To this end, we collaborate with domain experts to release the first Supramolecular Bench"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.13477","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/2606.13477/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":"2606.13477","created_at":"2026-06-12T01:10:05.666135+00:00"},{"alias_kind":"arxiv_version","alias_value":"2606.13477v1","created_at":"2026-06-12T01:10:05.666135+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2606.13477","created_at":"2026-06-12T01:10:05.666135+00:00"},{"alias_kind":"pith_short_12","alias_value":"3BRXEQ3WF5VA","created_at":"2026-06-12T01:10:05.666135+00:00"},{"alias_kind":"pith_short_16","alias_value":"3BRXEQ3WF5VANASP","created_at":"2026-06-12T01:10:05.666135+00:00"},{"alias_kind":"pith_short_8","alias_value":"3BRXEQ3W","created_at":"2026-06-12T01:10:05.666135+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/3BRXEQ3WF5VANASPKFZKJGANVJ","json":"https://pith.science/pith/3BRXEQ3WF5VANASPKFZKJGANVJ.json","graph_json":"https://pith.science/api/pith-number/3BRXEQ3WF5VANASPKFZKJGANVJ/graph.json","events_json":"https://pith.science/api/pith-number/3BRXEQ3WF5VANASPKFZKJGANVJ/events.json","paper":"https://pith.science/paper/3BRXEQ3W"},"agent_actions":{"view_html":"https://pith.science/pith/3BRXEQ3WF5VANASPKFZKJGANVJ","download_json":"https://pith.science/pith/3BRXEQ3WF5VANASPKFZKJGANVJ.json","view_paper":"https://pith.science/paper/3BRXEQ3W","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2606.13477&json=true","fetch_graph":"https://pith.science/api/pith-number/3BRXEQ3WF5VANASPKFZKJGANVJ/graph.json","fetch_events":"https://pith.science/api/pith-number/3BRXEQ3WF5VANASPKFZKJGANVJ/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/3BRXEQ3WF5VANASPKFZKJGANVJ/action/timestamp_anchor","attest_storage":"https://pith.science/pith/3BRXEQ3WF5VANASPKFZKJGANVJ/action/storage_attestation","attest_author":"https://pith.science/pith/3BRXEQ3WF5VANASPKFZKJGANVJ/action/author_attestation","sign_citation":"https://pith.science/pith/3BRXEQ3WF5VANASPKFZKJGANVJ/action/citation_signature","submit_replication":"https://pith.science/pith/3BRXEQ3WF5VANASPKFZKJGANVJ/action/replication_record"}},"created_at":"2026-06-12T01:10:05.666135+00:00","updated_at":"2026-06-12T01:10:05.666135+00:00"}