{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:V3FYH6XJNUHF5ZVCMJBDSRL5N4","short_pith_number":"pith:V3FYH6XJ","canonical_record":{"source":{"id":"2605.21740","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.AI","submitted_at":"2026-05-20T21:08:15Z","cross_cats_sorted":[],"title_canon_sha256":"6650e4c52ae7b20bc402f949d8941b16dc557fffc0af1dddfe09335e3a7f7ac5","abstract_canon_sha256":"db684c1ee6c492af250d9a4bb7d3763942bd9f51317dff611a024afe2364e3ec"},"schema_version":"1.0"},"canonical_sha256":"aecb83fae96d0e5ee6a2624239457d6f0733c61b2b84ca52ea41943f3370e0bc","source":{"kind":"arxiv","id":"2605.21740","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2605.21740","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"arxiv_version","alias_value":"2605.21740v1","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.21740","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"pith_short_12","alias_value":"V3FYH6XJNUHF","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"pith_short_16","alias_value":"V3FYH6XJNUHF5ZVC","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"pith_short_8","alias_value":"V3FYH6XJ","created_at":"2026-05-22T01:03:30Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:V3FYH6XJNUHF5ZVCMJBDSRL5N4","target":"record","payload":{"canonical_record":{"source":{"id":"2605.21740","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.AI","submitted_at":"2026-05-20T21:08:15Z","cross_cats_sorted":[],"title_canon_sha256":"6650e4c52ae7b20bc402f949d8941b16dc557fffc0af1dddfe09335e3a7f7ac5","abstract_canon_sha256":"db684c1ee6c492af250d9a4bb7d3763942bd9f51317dff611a024afe2364e3ec"},"schema_version":"1.0"},"canonical_sha256":"aecb83fae96d0e5ee6a2624239457d6f0733c61b2b84ca52ea41943f3370e0bc","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-22T01:03:30.136361Z","signature_b64":"icSxeIqegtJOBsgz5s6OU2dEITpyTbYy/Vv9mt9nFMx2Dfz2RUXS5ooVCk+HBZqSlPa551TRV8uQEk8GQBgnDg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"aecb83fae96d0e5ee6a2624239457d6f0733c61b2b84ca52ea41943f3370e0bc","last_reissued_at":"2026-05-22T01:03:30.135661Z","signature_status":"signed_v1","first_computed_at":"2026-05-22T01:03:30.135661Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2605.21740","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":"2026-05-22T01:03:30Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"muovYmu7VuslkgbOdMO8u61NO18QH8wCKu18roU/37nC/z31fspsS2c4AFVSOQrF8uq7TY1cxLbLEm+4HSVHAw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T14:42:07.303298Z"},"content_sha256":"db86fd1d3f343ba58a5025c4e5289d224f5fdc940749e9b58ddcbdea2eebe335","schema_version":"1.0","event_id":"sha256:db86fd1d3f343ba58a5025c4e5289d224f5fdc940749e9b58ddcbdea2eebe335"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:V3FYH6XJNUHF5ZVCMJBDSRL5N4","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"SMDD-Bench: Can LLMs Solve Real-World Small Molecule Drug Design Tasks?","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":[],"primary_cat":"cs.AI","authors_text":"Amir Farimani, Hamed Mahdavi, Kathy Wei, Kevin Han, Niloofar Mireshghallah, Renfei Zhang","submitted_at":"2026-05-20T21:08:15Z","abstract_excerpt":"LLM agents have incredible potential for scientific discovery applications. However, the performance of LLM agents on real-world, small molecule drug design (SMDD) tasks across diverse chemistries and targets is unclear. Current evaluation methods are either ad hoc, too simple for real-world discovery, limited in scale, or restricted to single-turn question answering. In effort to standardize the evaluation of LLM agents on small molecule design, we introduce SMDD-Bench, a challenging, multi-turn, long-horizon agentic benchmark consisting of 502 guaranteed-solvable task instances spanning 5 ta"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.21740","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/2605.21740/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":"2026-05-22T01:03:30Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"/tj4/61bS6tt8G3kZwaUEcHGeecy4F4CPKTa3hQ9Lsw2mZ7ihfUqLTxYsNmdePvsAC/oXDsJE5ZE/g/ql60vDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-05-27T14:42:07.304077Z"},"content_sha256":"be3f408f3b7eabb1d7fd217d266be579211a6bf33b53d24257e1467e57798a75","schema_version":"1.0","event_id":"sha256:be3f408f3b7eabb1d7fd217d266be579211a6bf33b53d24257e1467e57798a75"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/V3FYH6XJNUHF5ZVCMJBDSRL5N4/bundle.json","state_url":"https://pith.science/pith/V3FYH6XJNUHF5ZVCMJBDSRL5N4/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/V3FYH6XJNUHF5ZVCMJBDSRL5N4/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":"2026-05-27T14:42:07Z","links":{"resolver":"https://pith.science/pith/V3FYH6XJNUHF5ZVCMJBDSRL5N4","bundle":"https://pith.science/pith/V3FYH6XJNUHF5ZVCMJBDSRL5N4/bundle.json","state":"https://pith.science/pith/V3FYH6XJNUHF5ZVCMJBDSRL5N4/state.json","well_known_bundle":"https://pith.science/.well-known/pith/V3FYH6XJNUHF5ZVCMJBDSRL5N4/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:V3FYH6XJNUHF5ZVCMJBDSRL5N4","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":"db684c1ee6c492af250d9a4bb7d3763942bd9f51317dff611a024afe2364e3ec","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.AI","submitted_at":"2026-05-20T21:08:15Z","title_canon_sha256":"6650e4c52ae7b20bc402f949d8941b16dc557fffc0af1dddfe09335e3a7f7ac5"},"schema_version":"1.0","source":{"id":"2605.21740","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2605.21740","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"arxiv_version","alias_value":"2605.21740v1","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2605.21740","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"pith_short_12","alias_value":"V3FYH6XJNUHF","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"pith_short_16","alias_value":"V3FYH6XJNUHF5ZVC","created_at":"2026-05-22T01:03:30Z"},{"alias_kind":"pith_short_8","alias_value":"V3FYH6XJ","created_at":"2026-05-22T01:03:30Z"}],"graph_snapshots":[{"event_id":"sha256:be3f408f3b7eabb1d7fd217d266be579211a6bf33b53d24257e1467e57798a75","target":"graph","created_at":"2026-05-22T01:03:30Z","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/2605.21740/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"LLM agents have incredible potential for scientific discovery applications. However, the performance of LLM agents on real-world, small molecule drug design (SMDD) tasks across diverse chemistries and targets is unclear. Current evaluation methods are either ad hoc, too simple for real-world discovery, limited in scale, or restricted to single-turn question answering. In effort to standardize the evaluation of LLM agents on small molecule design, we introduce SMDD-Bench, a challenging, multi-turn, long-horizon agentic benchmark consisting of 502 guaranteed-solvable task instances spanning 5 ta","authors_text":"Amir Farimani, Hamed Mahdavi, Kathy Wei, Kevin Han, Niloofar Mireshghallah, Renfei Zhang","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.AI","submitted_at":"2026-05-20T21:08:15Z","title":"SMDD-Bench: Can LLMs Solve Real-World Small Molecule Drug Design Tasks?"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2605.21740","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:db86fd1d3f343ba58a5025c4e5289d224f5fdc940749e9b58ddcbdea2eebe335","target":"record","created_at":"2026-05-22T01:03:30Z","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":"db684c1ee6c492af250d9a4bb7d3763942bd9f51317dff611a024afe2364e3ec","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.AI","submitted_at":"2026-05-20T21:08:15Z","title_canon_sha256":"6650e4c52ae7b20bc402f949d8941b16dc557fffc0af1dddfe09335e3a7f7ac5"},"schema_version":"1.0","source":{"id":"2605.21740","kind":"arxiv","version":1}},"canonical_sha256":"aecb83fae96d0e5ee6a2624239457d6f0733c61b2b84ca52ea41943f3370e0bc","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"aecb83fae96d0e5ee6a2624239457d6f0733c61b2b84ca52ea41943f3370e0bc","first_computed_at":"2026-05-22T01:03:30.135661Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-22T01:03:30.135661Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"icSxeIqegtJOBsgz5s6OU2dEITpyTbYy/Vv9mt9nFMx2Dfz2RUXS5ooVCk+HBZqSlPa551TRV8uQEk8GQBgnDg==","signature_status":"signed_v1","signed_at":"2026-05-22T01:03:30.136361Z","signed_message":"canonical_sha256_bytes"},"source_id":"2605.21740","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:db86fd1d3f343ba58a5025c4e5289d224f5fdc940749e9b58ddcbdea2eebe335","sha256:be3f408f3b7eabb1d7fd217d266be579211a6bf33b53d24257e1467e57798a75"],"state_sha256":"e0f6b2aeb6e1c2c075b18bad124844b8a40513098bff43fb07ea32dd0882e623"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"bwHsHrF8ERFuXr3tvlq7b9ddexB4ChdBrDRyaqVbcRvq4gbgkgX8W5vXAneeKhZuulLJ31+LuZ7JVzg2m1a/DA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-05-27T14:42:07.307991Z","bundle_sha256":"0eb922bb6bde8b4903f3f3d0dc8649b6bf3b8fc8a7bd3ff69644a703aea79095"}}