{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2025:P3KQ3GLANTTRTGVAXVOQP73X45","short_pith_number":"pith:P3KQ3GLA","schema_version":"1.0","canonical_sha256":"7ed50d99606ce7199aa0bd5d07ff77e77827ddff3f3d3d8140d0cf47d86ff54c","source":{"kind":"arxiv","id":"2505.19014","version":2},"attestation_state":"computed","paper":{"title":"Tokenizing Electron Cloud in Protein-Ligand Interaction Learning","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.chem-ph","q-bio.QM"],"primary_cat":"cs.LG","authors_text":"Haitao Lin, Jia Xu, Lirong Wu, Odin Zhang, Stan Z. Li, Yufei Huang, Yunfan Liu, Zheng Cheng, Zhifeng Gao","submitted_at":"2025-05-25T07:36:50Z","abstract_excerpt":"The affinity and specificity of protein-molecule binding directly impact functional outcomes, uncovering the mechanisms underlying biological regulation and signal transduction. Most deep-learning-based prediction approaches focus on structures of atoms or fragments. However, quantum chemical properties, such as electronic structures, are the key to unveiling interaction patterns but remain largely underexplored. To bridge this gap, we propose ECBind, a method for tokenizing electron cloud signals into quantized embeddings, enabling their integration into downstream tasks such as binding affin"},"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":"2505.19014","kind":"arxiv","version":2},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2025-05-25T07:36:50Z","cross_cats_sorted":["physics.chem-ph","q-bio.QM"],"title_canon_sha256":"89bfb1735ce55ef22ee9f6b9b68c2f33c0802cae61ba1661530e4592f99fe4ca","abstract_canon_sha256":"e2f33261cb1a212736bb98cf1b05d94d9d81199d044559657cd89038c4ba8929"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T11:13:26.740523Z","signature_b64":"2ek4VQ+1RjwkOrLvNu8duDKp+jGhof5QBHISj9czZGidGjtdIBgtR6uvqQ/Mhc6lQIGWHxZr7frL2ZNxYw1NDw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"7ed50d99606ce7199aa0bd5d07ff77e77827ddff3f3d3d8140d0cf47d86ff54c","last_reissued_at":"2026-07-05T11:13:26.740032Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T11:13:26.740032Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Tokenizing Electron Cloud in Protein-Ligand Interaction Learning","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["physics.chem-ph","q-bio.QM"],"primary_cat":"cs.LG","authors_text":"Haitao Lin, Jia Xu, Lirong Wu, Odin Zhang, Stan Z. Li, Yufei Huang, Yunfan Liu, Zheng Cheng, Zhifeng Gao","submitted_at":"2025-05-25T07:36:50Z","abstract_excerpt":"The affinity and specificity of protein-molecule binding directly impact functional outcomes, uncovering the mechanisms underlying biological regulation and signal transduction. Most deep-learning-based prediction approaches focus on structures of atoms or fragments. However, quantum chemical properties, such as electronic structures, are the key to unveiling interaction patterns but remain largely underexplored. To bridge this gap, we propose ECBind, a method for tokenizing electron cloud signals into quantized embeddings, enabling their integration into downstream tasks such as binding affin"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2505.19014","kind":"arxiv","version":2},"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/2505.19014/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":"2505.19014","created_at":"2026-07-05T11:13:26.740091+00:00"},{"alias_kind":"arxiv_version","alias_value":"2505.19014v2","created_at":"2026-07-05T11:13:26.740091+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2505.19014","created_at":"2026-07-05T11:13:26.740091+00:00"},{"alias_kind":"pith_short_12","alias_value":"P3KQ3GLANTTR","created_at":"2026-07-05T11:13:26.740091+00:00"},{"alias_kind":"pith_short_16","alias_value":"P3KQ3GLANTTRTGVA","created_at":"2026-07-05T11:13:26.740091+00:00"},{"alias_kind":"pith_short_8","alias_value":"P3KQ3GLA","created_at":"2026-07-05T11:13:26.740091+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/P3KQ3GLANTTRTGVAXVOQP73X45","json":"https://pith.science/pith/P3KQ3GLANTTRTGVAXVOQP73X45.json","graph_json":"https://pith.science/api/pith-number/P3KQ3GLANTTRTGVAXVOQP73X45/graph.json","events_json":"https://pith.science/api/pith-number/P3KQ3GLANTTRTGVAXVOQP73X45/events.json","paper":"https://pith.science/paper/P3KQ3GLA"},"agent_actions":{"view_html":"https://pith.science/pith/P3KQ3GLANTTRTGVAXVOQP73X45","download_json":"https://pith.science/pith/P3KQ3GLANTTRTGVAXVOQP73X45.json","view_paper":"https://pith.science/paper/P3KQ3GLA","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=2505.19014&json=true","fetch_graph":"https://pith.science/api/pith-number/P3KQ3GLANTTRTGVAXVOQP73X45/graph.json","fetch_events":"https://pith.science/api/pith-number/P3KQ3GLANTTRTGVAXVOQP73X45/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/P3KQ3GLANTTRTGVAXVOQP73X45/action/timestamp_anchor","attest_storage":"https://pith.science/pith/P3KQ3GLANTTRTGVAXVOQP73X45/action/storage_attestation","attest_author":"https://pith.science/pith/P3KQ3GLANTTRTGVAXVOQP73X45/action/author_attestation","sign_citation":"https://pith.science/pith/P3KQ3GLANTTRTGVAXVOQP73X45/action/citation_signature","submit_replication":"https://pith.science/pith/P3KQ3GLANTTRTGVAXVOQP73X45/action/replication_record"}},"created_at":"2026-07-05T11:13:26.740091+00:00","updated_at":"2026-07-05T11:13:26.740091+00:00"}