{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2020:RMITCXETGXJ7RMLWFXYK7F3GYO","short_pith_number":"pith:RMITCXET","canonical_record":{"source":{"id":"2010.06574","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.DC","submitted_at":"2020-10-13T17:49:33Z","cross_cats_sorted":["cs.CE","q-bio.QM"],"title_canon_sha256":"99e52bf3b034408b18de9d18c6e9dd4361512f8b7e3413853aba5b4dfddad3b9","abstract_canon_sha256":"46247e6a36753a355579d619fe6de0297ab66aba13c0db419c128b4ad22e186f"},"schema_version":"1.0"},"canonical_sha256":"8b11315c9335d3f8b1762df0af9766c3b73a0f890e82dc2a8c38411dec3f13dd","source":{"kind":"arxiv","id":"2010.06574","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2010.06574","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"arxiv_version","alias_value":"2010.06574v1","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2010.06574","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"pith_short_12","alias_value":"RMITCXETGXJ7","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"pith_short_16","alias_value":"RMITCXETGXJ7RMLW","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"pith_short_8","alias_value":"RMITCXET","created_at":"2026-07-05T01:42:57Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2020:RMITCXETGXJ7RMLWFXYK7F3GYO","target":"record","payload":{"canonical_record":{"source":{"id":"2010.06574","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.DC","submitted_at":"2020-10-13T17:49:33Z","cross_cats_sorted":["cs.CE","q-bio.QM"],"title_canon_sha256":"99e52bf3b034408b18de9d18c6e9dd4361512f8b7e3413853aba5b4dfddad3b9","abstract_canon_sha256":"46247e6a36753a355579d619fe6de0297ab66aba13c0db419c128b4ad22e186f"},"schema_version":"1.0"},"canonical_sha256":"8b11315c9335d3f8b1762df0af9766c3b73a0f890e82dc2a8c38411dec3f13dd","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-05T01:42:57.450465Z","signature_b64":"+zMFenSrnnxUa1BWZFdeeXlnIoGbe9St5h5W/kzirdcsSVfVfYwDnJ8ZC6H4yvoGtJAGPbsbuUt9U+GyeR1WAQ==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"8b11315c9335d3f8b1762df0af9766c3b73a0f890e82dc2a8c38411dec3f13dd","last_reissued_at":"2026-07-05T01:42:57.449835Z","signature_status":"signed_v1","first_computed_at":"2026-07-05T01:42:57.449835Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2010.06574","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":"2026-07-05T01:42:57Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"KpdBI7gv2+r6nlAL4dkpN3W70i45EOYMcyFzC4vPDQBBjk8qgxkj6e/PznGEIYmr0BePS7puTe62E7ai0+ZlDQ==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-19T12:53:59.912621Z"},"content_sha256":"d56ade71bbbcd1f244f8fe572d60f0556bd5b8b977c075b750c4ae7dc10153f6","schema_version":"1.0","event_id":"sha256:d56ade71bbbcd1f244f8fe572d60f0556bd5b8b977c075b750c4ae7dc10153f6"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2020:RMITCXETGXJ7RMLWFXYK7F3GYO","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.CE","q-bio.QM"],"primary_cat":"cs.DC","authors_text":"Abraham Stern, Agastya Bhati, Alexander Partin, Alex Brace, Anda Trifan, Andre Merzky, Aristeidis Tsaris, Arvind Ramanathan, Ashka Shah, Austin Clyde, Aymen Al Saadi, Ben Blaiszik, Dario Alfe, David Wifling, Dieter Kranzlm\\\"uller, Gerald Mathias, Heng Ma, Huub Van Dam, Hyungro Lee, Ian Foster, Junqi Yin, Kristopher Keipert, Kyle Chard, Li Tan, Matteo Turilli, Mikhail Titov, Peter Coveney, Rick Stevens, Ryan Chard, Shantenu Jha, Shunzhou Wan, Thomas Brettin, Thorsten Kurth, Tom Gibbs, Yadu Babuji, Zhuozhao Li","submitted_at":"2020-10-13T17:49:33Z","abstract_excerpt":"The drug discovery process currently employed in the pharmaceutical industry typically requires about 10 years and $2-3 billion to deliver one new drug. This is both too expensive and too slow, especially in emergencies like the COVID-19 pandemic. In silicomethodologies need to be improved to better select lead compounds that can proceed to later stages of the drug discovery protocol accelerating the entire process. No single methodological approach can achieve the necessary accuracy with required efficiency. Here we describe multiple algorithmic innovations to overcome this fundamental limita"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2010.06574","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/2010.06574/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":"2026-07-05T01:42:57Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"KJXYAyxReBUCRZArWJ4xYlnDEtw7EtmtaMI8NoOVnRuP3DNviIwL3Ui1EZ3kjzZ+p/cvC4hc93Dd+vH9KKsWAA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-07-19T12:53:59.913001Z"},"content_sha256":"672c31d804caa4c465aefda59cf7fe06d2a3432926bf6d3e3f482c268260802b","schema_version":"1.0","event_id":"sha256:672c31d804caa4c465aefda59cf7fe06d2a3432926bf6d3e3f482c268260802b"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/RMITCXETGXJ7RMLWFXYK7F3GYO/bundle.json","state_url":"https://pith.science/pith/RMITCXETGXJ7RMLWFXYK7F3GYO/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/RMITCXETGXJ7RMLWFXYK7F3GYO/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":"2026-07-19T12:53:59Z","links":{"resolver":"https://pith.science/pith/RMITCXETGXJ7RMLWFXYK7F3GYO","bundle":"https://pith.science/pith/RMITCXETGXJ7RMLWFXYK7F3GYO/bundle.json","state":"https://pith.science/pith/RMITCXETGXJ7RMLWFXYK7F3GYO/state.json","well_known_bundle":"https://pith.science/.well-known/pith/RMITCXETGXJ7RMLWFXYK7F3GYO/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2020:RMITCXETGXJ7RMLWFXYK7F3GYO","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":"46247e6a36753a355579d619fe6de0297ab66aba13c0db419c128b4ad22e186f","cross_cats_sorted":["cs.CE","q-bio.QM"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.DC","submitted_at":"2020-10-13T17:49:33Z","title_canon_sha256":"99e52bf3b034408b18de9d18c6e9dd4361512f8b7e3413853aba5b4dfddad3b9"},"schema_version":"1.0","source":{"id":"2010.06574","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2010.06574","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"arxiv_version","alias_value":"2010.06574v1","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2010.06574","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"pith_short_12","alias_value":"RMITCXETGXJ7","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"pith_short_16","alias_value":"RMITCXETGXJ7RMLW","created_at":"2026-07-05T01:42:57Z"},{"alias_kind":"pith_short_8","alias_value":"RMITCXET","created_at":"2026-07-05T01:42:57Z"}],"graph_snapshots":[{"event_id":"sha256:672c31d804caa4c465aefda59cf7fe06d2a3432926bf6d3e3f482c268260802b","target":"graph","created_at":"2026-07-05T01:42:57Z","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/2010.06574/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"The drug discovery process currently employed in the pharmaceutical industry typically requires about 10 years and $2-3 billion to deliver one new drug. This is both too expensive and too slow, especially in emergencies like the COVID-19 pandemic. In silicomethodologies need to be improved to better select lead compounds that can proceed to later stages of the drug discovery protocol accelerating the entire process. No single methodological approach can achieve the necessary accuracy with required efficiency. Here we describe multiple algorithmic innovations to overcome this fundamental limita","authors_text":"Abraham Stern, Agastya Bhati, Alexander Partin, Alex Brace, Anda Trifan, Andre Merzky, Aristeidis Tsaris, Arvind Ramanathan, Ashka Shah, Austin Clyde, Aymen Al Saadi, Ben Blaiszik, Dario Alfe, David Wifling, Dieter Kranzlm\\\"uller, Gerald Mathias, Heng Ma, Huub Van Dam, Hyungro Lee, Ian Foster, Junqi Yin, Kristopher Keipert, Kyle Chard, Li Tan, Matteo Turilli, Mikhail Titov, Peter Coveney, Rick Stevens, Ryan Chard, Shantenu Jha, Shunzhou Wan, Thomas Brettin, Thorsten Kurth, Tom Gibbs, Yadu Babuji, Zhuozhao Li","cross_cats":["cs.CE","q-bio.QM"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.DC","submitted_at":"2020-10-13T17:49:33Z","title":"IMPECCABLE: Integrated Modeling PipelinE for COVID Cure by Assessing Better LEads"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2010.06574","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:d56ade71bbbcd1f244f8fe572d60f0556bd5b8b977c075b750c4ae7dc10153f6","target":"record","created_at":"2026-07-05T01:42:57Z","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":"46247e6a36753a355579d619fe6de0297ab66aba13c0db419c128b4ad22e186f","cross_cats_sorted":["cs.CE","q-bio.QM"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cs.DC","submitted_at":"2020-10-13T17:49:33Z","title_canon_sha256":"99e52bf3b034408b18de9d18c6e9dd4361512f8b7e3413853aba5b4dfddad3b9"},"schema_version":"1.0","source":{"id":"2010.06574","kind":"arxiv","version":1}},"canonical_sha256":"8b11315c9335d3f8b1762df0af9766c3b73a0f890e82dc2a8c38411dec3f13dd","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"8b11315c9335d3f8b1762df0af9766c3b73a0f890e82dc2a8c38411dec3f13dd","first_computed_at":"2026-07-05T01:42:57.449835Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T01:42:57.449835Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"+zMFenSrnnxUa1BWZFdeeXlnIoGbe9St5h5W/kzirdcsSVfVfYwDnJ8ZC6H4yvoGtJAGPbsbuUt9U+GyeR1WAQ==","signature_status":"signed_v1","signed_at":"2026-07-05T01:42:57.450465Z","signed_message":"canonical_sha256_bytes"},"source_id":"2010.06574","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:d56ade71bbbcd1f244f8fe572d60f0556bd5b8b977c075b750c4ae7dc10153f6","sha256:672c31d804caa4c465aefda59cf7fe06d2a3432926bf6d3e3f482c268260802b"],"state_sha256":"a73f4707fe98732753f3bd9d469448a4bdf3331d659b7ed3dd887a7cd4d8d812"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"YsQQo1Dh5utPoin2riJrRplqUXPj3+DX3neQMazp3+nWu3fEpKd9Q82OOU71zTHaNw3JiuDxQKM0l05kGzKaCQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-07-19T12:53:59.915186Z","bundle_sha256":"666e49c811581fe753ba864dbf548c20418066ccec65abd40d39f02ecb540dbf"}}