{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2024:Y7NORVIR5WW3TMWU4W7POJ3ETN","short_pith_number":"pith:Y7NORVIR","canonical_record":{"source":{"id":"2401.13858","kind":"arxiv","version":3},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-01-24T23:45:31Z","cross_cats_sorted":["q-bio.BM"],"title_canon_sha256":"a862e97448a48268fab6912ce348f8ccd2af59071bd9ce5b1dc0e2e3cc463aba","abstract_canon_sha256":"432d81a47f960a5300715cd5580ff889935b31ab80dfe4c1dd28c7b2df566730"},"schema_version":"1.0"},"canonical_sha256":"c7dae8d511edadb9b2d4e5bef727649b5d7c6ab38d2cb8cadd2960ae39bf8140","source":{"kind":"arxiv","id":"2401.13858","version":3},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2401.13858","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"arxiv_version","alias_value":"2401.13858v3","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2401.13858","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"pith_short_12","alias_value":"Y7NORVIR5WW3","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"pith_short_16","alias_value":"Y7NORVIR5WW3TMWU","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"pith_short_8","alias_value":"Y7NORVIR","created_at":"2026-07-05T09:15:07Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2024:Y7NORVIR5WW3TMWU4W7POJ3ETN","target":"record","payload":{"canonical_record":{"source":{"id":"2401.13858","kind":"arxiv","version":3},"metadata":{"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-01-24T23:45:31Z","cross_cats_sorted":["q-bio.BM"],"title_canon_sha256":"a862e97448a48268fab6912ce348f8ccd2af59071bd9ce5b1dc0e2e3cc463aba","abstract_canon_sha256":"432d81a47f960a5300715cd5580ff889935b31ab80dfe4c1dd28c7b2df566730"},"schema_version":"1.0"},"canonical_sha256":"c7dae8d511edadb9b2d4e5bef727649b5d7c6ab38d2cb8cadd2960ae39bf8140","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T09:15:07.929717Z","signature_b64":"uqZdOohNDB2m7lphI4ofkCPNd1WtmhOn9UIHBrCjK8seGDBKgpcFSubVsiS5A78id3EhD8/lQSIvCUJR7EuqAA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"c7dae8d511edadb9b2d4e5bef727649b5d7c6ab38d2cb8cadd2960ae39bf8140","last_reissued_at":"2026-07-05T09:15:07.929260Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T09:15:07.929260Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2401.13858","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":"2026-07-05T09:15:07Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"3twTPlWSeLanSRVJ+rKKSZOZABzEngBkqrCt2vg9ovjqQb7/cx7KlqvevCMTj9aSXcx8rjtz36CJjYCECW17CQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-07T11:18:42.866503Z"},"content_sha256":"61b290d02b7527bea81277f042315c411a7ce583f3c4fbc7f08247592c7bd424","schema_version":"1.0","event_id":"sha256:61b290d02b7527bea81277f042315c411a7ce583f3c4fbc7f08247592c7bd424"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2024:Y7NORVIR5WW3TMWU4W7POJ3ETN","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"Graph Diffusion Transformers for Multi-Conditional Molecular Generation","license":"http://creativecommons.org/licenses/by/4.0/","headline":"","cross_cats":["q-bio.BM"],"primary_cat":"cs.LG","authors_text":"Gang Liu, Jiaxin Xu, Meng Jiang, Tengfei Luo","submitted_at":"2024-01-24T23:45:31Z","abstract_excerpt":"Inverse molecular design with diffusion models holds great potential for advancements in material and drug discovery. Despite success in unconditional molecular generation, integrating multiple properties such as synthetic score and gas permeability as condition constraints into diffusion models remains unexplored. We present the Graph Diffusion Transformer (Graph DiT) for multi-conditional molecular generation. Graph DiT integrates an encoder to learn numerical and categorical property representations with the Transformer-based denoiser. Unlike previous graph diffusion models that add noise s"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2401.13858","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/2401.13858/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":"2026-07-05T09:15:07Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"8WR0exKtkvdh3reOokwl6bPzd2JvALabWyLeKdq1Dp+IAMAWcjBBLwXJM1QfcH11R6rxxiYZzxqcDmST0jyKAg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-07T11:18:42.866997Z"},"content_sha256":"e13c48b162262af4ee0960a0a48308dbadf503d6b1adcd904027f1280f021938","schema_version":"1.0","event_id":"sha256:e13c48b162262af4ee0960a0a48308dbadf503d6b1adcd904027f1280f021938"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/Y7NORVIR5WW3TMWU4W7POJ3ETN/bundle.json","state_url":"https://pith.science/pith/Y7NORVIR5WW3TMWU4W7POJ3ETN/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/Y7NORVIR5WW3TMWU4W7POJ3ETN/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":"2026-08-07T11:18:42Z","links":{"resolver":"https://pith.science/pith/Y7NORVIR5WW3TMWU4W7POJ3ETN","bundle":"https://pith.science/pith/Y7NORVIR5WW3TMWU4W7POJ3ETN/bundle.json","state":"https://pith.science/pith/Y7NORVIR5WW3TMWU4W7POJ3ETN/state.json","well_known_bundle":"https://pith.science/.well-known/pith/Y7NORVIR5WW3TMWU4W7POJ3ETN/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2024:Y7NORVIR5WW3TMWU4W7POJ3ETN","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":"432d81a47f960a5300715cd5580ff889935b31ab80dfe4c1dd28c7b2df566730","cross_cats_sorted":["q-bio.BM"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-01-24T23:45:31Z","title_canon_sha256":"a862e97448a48268fab6912ce348f8ccd2af59071bd9ce5b1dc0e2e3cc463aba"},"schema_version":"1.0","source":{"id":"2401.13858","kind":"arxiv","version":3}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2401.13858","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"arxiv_version","alias_value":"2401.13858v3","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2401.13858","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"pith_short_12","alias_value":"Y7NORVIR5WW3","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"pith_short_16","alias_value":"Y7NORVIR5WW3TMWU","created_at":"2026-07-05T09:15:07Z"},{"alias_kind":"pith_short_8","alias_value":"Y7NORVIR","created_at":"2026-07-05T09:15:07Z"}],"graph_snapshots":[{"event_id":"sha256:e13c48b162262af4ee0960a0a48308dbadf503d6b1adcd904027f1280f021938","target":"graph","created_at":"2026-07-05T09:15:07Z","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/2401.13858/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Inverse molecular design with diffusion models holds great potential for advancements in material and drug discovery. Despite success in unconditional molecular generation, integrating multiple properties such as synthetic score and gas permeability as condition constraints into diffusion models remains unexplored. We present the Graph Diffusion Transformer (Graph DiT) for multi-conditional molecular generation. Graph DiT integrates an encoder to learn numerical and categorical property representations with the Transformer-based denoiser. Unlike previous graph diffusion models that add noise s","authors_text":"Gang Liu, Jiaxin Xu, Meng Jiang, Tengfei Luo","cross_cats":["q-bio.BM"],"headline":"","license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-01-24T23:45:31Z","title":"Graph Diffusion Transformers for Multi-Conditional Molecular Generation"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2401.13858","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":"sha256:61b290d02b7527bea81277f042315c411a7ce583f3c4fbc7f08247592c7bd424","target":"record","created_at":"2026-07-05T09:15:07Z","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":"432d81a47f960a5300715cd5580ff889935b31ab80dfe4c1dd28c7b2df566730","cross_cats_sorted":["q-bio.BM"],"license":"http://creativecommons.org/licenses/by/4.0/","primary_cat":"cs.LG","submitted_at":"2024-01-24T23:45:31Z","title_canon_sha256":"a862e97448a48268fab6912ce348f8ccd2af59071bd9ce5b1dc0e2e3cc463aba"},"schema_version":"1.0","source":{"id":"2401.13858","kind":"arxiv","version":3}},"canonical_sha256":"c7dae8d511edadb9b2d4e5bef727649b5d7c6ab38d2cb8cadd2960ae39bf8140","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"c7dae8d511edadb9b2d4e5bef727649b5d7c6ab38d2cb8cadd2960ae39bf8140","first_computed_at":"2026-07-05T09:15:07.929260Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T09:15:07.929260Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"uqZdOohNDB2m7lphI4ofkCPNd1WtmhOn9UIHBrCjK8seGDBKgpcFSubVsiS5A78id3EhD8/lQSIvCUJR7EuqAA==","signature_status":"signed_v1","signed_at":"2026-07-05T09:15:07.929717Z","signed_message":"canonical_sha256_bytes"},"source_id":"2401.13858","source_kind":"arxiv","source_version":3}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:61b290d02b7527bea81277f042315c411a7ce583f3c4fbc7f08247592c7bd424","sha256:e13c48b162262af4ee0960a0a48308dbadf503d6b1adcd904027f1280f021938"],"state_sha256":"087737809c460e39d6b734bc9b6a5bc69b5cb5c5e528256161a8e51a0f3544f0"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"7Zt4IR1RsH2qMUtDYp9DMIhcsc7YHcKAPBch26mrz5vDwoZszQ/LB7T8vqvwyijbKhkUmxjM7AcDF9/CnvFqDA==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-07T11:18:42.871921Z","bundle_sha256":"7acc87a3bd48aba05b3cad3d9724f9ffd62c8af322dd8b75f25a8d7eff33ea10"}}