{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2023:P6HEQLW2HZO6SDAVCHJUBMTFJ4","short_pith_number":"pith:P6HEQLW2","canonical_record":{"source":{"id":"2302.07134","kind":"arxiv","version":3},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2023-02-14T15:45:45Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"fbf78c2efdc5017f0c81f41944580ca31554d956fff0512f28d0a4c0a249e817","abstract_canon_sha256":"ed1b91924a49bd80ee381ce8906b8f7bcaa60c259ecc45e26fddcc5b0e228f4f"},"schema_version":"1.0"},"canonical_sha256":"7f8e482eda3e5de90c1511d340b2654f0211e7f6b86a05a02c781b36505ef321","source":{"kind":"arxiv","id":"2302.07134","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2302.07134","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"arxiv_version","alias_value":"2302.07134v3","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2302.07134","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"pith_short_12","alias_value":"P6HEQLW2HZO6","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"pith_short_16","alias_value":"P6HEQLW2HZO6SDAV","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"pith_short_8","alias_value":"P6HEQLW2","created_at":"2026-07-05T05:44:52Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2023:P6HEQLW2HZO6SDAVCHJUBMTFJ4","target":"record","payload":{"canonical_record":{"source":{"id":"2302.07134","kind":"arxiv","version":3},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2023-02-14T15:45:45Z","cross_cats_sorted":["cs.LG"],"title_canon_sha256":"fbf78c2efdc5017f0c81f41944580ca31554d956fff0512f28d0a4c0a249e817","abstract_canon_sha256":"ed1b91924a49bd80ee381ce8906b8f7bcaa60c259ecc45e26fddcc5b0e228f4f"},"schema_version":"1.0"},"canonical_sha256":"7f8e482eda3e5de90c1511d340b2654f0211e7f6b86a05a02c781b36505ef321","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T05:44:52.816309Z","signature_b64":"/T4MMcuPdTSzJJg30X0FDX02HYiYhtGXFKMraQy9mAGX5jchFFDfXdo81no8d/MNW0fGbuoqRQPmEJn/tVu5CQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7f8e482eda3e5de90c1511d340b2654f0211e7f6b86a05a02c781b36505ef321","last_reissued_at":"2026-07-05T05:44:52.815885Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T05:44:52.815885Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2302.07134","source_version":3,"attestation_state":"computed"},"signer":{"signer_id":"pith.science","signer_type":"pith_registry","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"created_at":"2026-07-05T05:44:52Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"1rFK/lO+1XSe0ZxN05doO3+rNizjrJpajBSbBdy7pDVpPt3+OtaOoKkpyaOUqN9Jpluf2vljk5xnMynVJD0WCw==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-05T11:14:20.687624Z"},"content_sha256":"989a2d95f4af82f8198b245e33750b3141e941df8eccaaedfd7f8a86392eaaa2","schema_version":"1.0","event_id":"sha256:989a2d95f4af82f8198b245e33750b3141e941df8eccaaedfd7f8a86392eaaa2"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2023:P6HEQLW2HZO6SDAVCHJUBMTFJ4","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking?","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":["cs.LG"],"primary_cat":"q-bio.BM","authors_text":"Guolin Ke, Hang Zheng, Shuqi Lu, Yuejiang Yu, Zhifeng Gao","submitted_at":"2023-02-14T15:45:45Z","abstract_excerpt":"Molecular docking, given a ligand molecule and a ligand binding site (called ``pocket'') on a protein, predicting the binding mode of the protein-ligand complex, is a widely used technique in drug design. Many deep learning models have been developed for molecular docking, while most existing deep learning models perform docking on the whole protein, rather than on a given pocket as the traditional molecular docking approaches, which does not match common needs. What's more, they claim to perform better than traditional molecular docking, but the approach of comparison is not fair, since tradi"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2302.07134","kind":"arxiv","version":3},"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/2302.07134/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":"2026-07-05T05:44:52Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"ydDQ/6/Z+/8ZAVysQDN6fnHFor6w8vqUfOxOYRmZBmI+VzlJLatVeFk7g1Nxdxv7/n/d1uoBEN97wwpgOURrBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-05T11:14:20.688568Z"},"content_sha256":"626435c17b6a38af8fd38fed27835152dc854062f53da6c0a47d9d99814a6169","schema_version":"1.0","event_id":"sha256:626435c17b6a38af8fd38fed27835152dc854062f53da6c0a47d9d99814a6169"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/P6HEQLW2HZO6SDAVCHJUBMTFJ4/bundle.json","state_url":"https://pith.science/pith/P6HEQLW2HZO6SDAVCHJUBMTFJ4/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/P6HEQLW2HZO6SDAVCHJUBMTFJ4/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":"2026-08-05T11:14:20Z","links":{"resolver":"https://pith.science/pith/P6HEQLW2HZO6SDAVCHJUBMTFJ4","bundle":"https://pith.science/pith/P6HEQLW2HZO6SDAVCHJUBMTFJ4/bundle.json","state":"https://pith.science/pith/P6HEQLW2HZO6SDAVCHJUBMTFJ4/state.json","well_known_bundle":"https://pith.science/.well-known/pith/P6HEQLW2HZO6SDAVCHJUBMTFJ4/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:P6HEQLW2HZO6SDAVCHJUBMTFJ4","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":"ed1b91924a49bd80ee381ce8906b8f7bcaa60c259ecc45e26fddcc5b0e228f4f","cross_cats_sorted":["cs.LG"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2023-02-14T15:45:45Z","title_canon_sha256":"fbf78c2efdc5017f0c81f41944580ca31554d956fff0512f28d0a4c0a249e817"},"schema_version":"1.0","source":{"id":"2302.07134","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2302.07134","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"arxiv_version","alias_value":"2302.07134v3","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2302.07134","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"pith_short_12","alias_value":"P6HEQLW2HZO6","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"pith_short_16","alias_value":"P6HEQLW2HZO6SDAV","created_at":"2026-07-05T05:44:52Z"},{"alias_kind":"pith_short_8","alias_value":"P6HEQLW2","created_at":"2026-07-05T05:44:52Z"}],"graph_snapshots":[{"event_id":"sha256:626435c17b6a38af8fd38fed27835152dc854062f53da6c0a47d9d99814a6169","target":"graph","created_at":"2026-07-05T05:44:52Z","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/2302.07134/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Molecular docking, given a ligand molecule and a ligand binding site (called ``pocket'') on a protein, predicting the binding mode of the protein-ligand complex, is a widely used technique in drug design. Many deep learning models have been developed for molecular docking, while most existing deep learning models perform docking on the whole protein, rather than on a given pocket as the traditional molecular docking approaches, which does not match common needs. What's more, they claim to perform better than traditional molecular docking, but the approach of comparison is not fair, since tradi","authors_text":"Guolin Ke, Hang Zheng, Shuqi Lu, Yuejiang Yu, Zhifeng Gao","cross_cats":["cs.LG"],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2023-02-14T15:45:45Z","title":"Do Deep Learning Models Really Outperform Traditional Approaches in Molecular Docking?"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2302.07134","kind":"arxiv","version":3},"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":"sha256:989a2d95f4af82f8198b245e33750b3141e941df8eccaaedfd7f8a86392eaaa2","target":"record","created_at":"2026-07-05T05:44:52Z","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":"ed1b91924a49bd80ee381ce8906b8f7bcaa60c259ecc45e26fddcc5b0e228f4f","cross_cats_sorted":["cs.LG"],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"q-bio.BM","submitted_at":"2023-02-14T15:45:45Z","title_canon_sha256":"fbf78c2efdc5017f0c81f41944580ca31554d956fff0512f28d0a4c0a249e817"},"schema_version":"1.0","source":{"id":"2302.07134","kind":"arxiv","version":3}},"canonical_sha256":"7f8e482eda3e5de90c1511d340b2654f0211e7f6b86a05a02c781b36505ef321","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"7f8e482eda3e5de90c1511d340b2654f0211e7f6b86a05a02c781b36505ef321","first_computed_at":"2026-07-05T05:44:52.815885Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T05:44:52.815885Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"/T4MMcuPdTSzJJg30X0FDX02HYiYhtGXFKMraQy9mAGX5jchFFDfXdo81no8d/MNW0fGbuoqRQPmEJn/tVu5CQ==","signature_status":"signed_v1","signed_at":"2026-07-05T05:44:52.816309Z","signed_message":"canonical_sha256_bytes"},"source_id":"2302.07134","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:989a2d95f4af82f8198b245e33750b3141e941df8eccaaedfd7f8a86392eaaa2","sha256:626435c17b6a38af8fd38fed27835152dc854062f53da6c0a47d9d99814a6169"],"state_sha256":"fe703eea7e794772408ffbe0d0a51c458025d3c443011511a3b2587044f3a71a"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"0LDEzEi8BaqzZQMYSYc7/xtEcHjjyP+HTtJxVCurdTMbuRcGXa/rxFtdIzE/yY6A6e4KxnPNfkNI8Tm3iH9uAA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-05T11:14:20.695642Z","bundle_sha256":"ded51012cbeaec0db91c4ec2ff0c0f197424cd2ed71443f03ed991ca2426ca90"}}