{"bundle_type":"pith_open_graph_bundle","bundle_version":"1.0","pith_number":"pith:2026:IF3HJCFIJHIY4FKCRKWIIFZ7HJ","short_pith_number":"pith:IF3HJCFI","canonical_record":{"source":{"id":"2607.06969","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-07-08T03:47:18Z","cross_cats_sorted":[],"title_canon_sha256":"d42ee247a1e5fddd3859d91febf5cb0417ecf6e7bff3d1094f82e0cf7c797748","abstract_canon_sha256":"242ed7ab7b0e13284474c7bd5db1fe300b3b8beb3d3431b29abed48c75ad332d"},"schema_version":"1.0"},"canonical_sha256":"41767488a849d18e15428aac84173f3a7499c61b4e90cbd4e9f1c2e97e0ecd3b","source":{"kind":"arxiv","id":"2607.06969","version":1},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2607.06969","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"arxiv_version","alias_value":"2607.06969v1","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2607.06969","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"pith_short_12","alias_value":"IF3HJCFIJHIY","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"pith_short_16","alias_value":"IF3HJCFIJHIY4FKC","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"pith_short_8","alias_value":"IF3HJCFI","created_at":"2026-07-09T00:19:41Z"}],"events":[{"event_type":"record_created","subject_pith_number":"pith:2026:IF3HJCFIJHIY4FKCRKWIIFZ7HJ","target":"record","payload":{"canonical_record":{"source":{"id":"2607.06969","kind":"arxiv","version":1},"metadata":{"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-07-08T03:47:18Z","cross_cats_sorted":[],"title_canon_sha256":"d42ee247a1e5fddd3859d91febf5cb0417ecf6e7bff3d1094f82e0cf7c797748","abstract_canon_sha256":"242ed7ab7b0e13284474c7bd5db1fe300b3b8beb3d3431b29abed48c75ad332d"},"schema_version":"1.0"},"canonical_sha256":"41767488a849d18e15428aac84173f3a7499c61b4e90cbd4e9f1c2e97e0ecd3b","receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-07-09T00:19:41.634639Z","signature_b64":"6L2UVs2rd3E792Ru8S/VsTYFZqhkcoOuLLrgsfz+lcDmnQojyK0Yo8EDBMB892siV3d+BzoXe3TR8CUS0h6pDg==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"41767488a849d18e15428aac84173f3a7499c61b4e90cbd4e9f1c2e97e0ecd3b","last_reissued_at":"2026-07-09T00:19:41.634215Z","signature_status":"signed_v1","first_computed_at":"2026-07-09T00:19:41.634215Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"source_kind":"arxiv","source_id":"2607.06969","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":"2026-07-09T00:19:41Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"7a4qh0+FxX1uvSoyywKyipKGY+udSsoKp9jg2aEICQUXVBR43W/UwWHvXcS5uwxnCAt1iLTUNWa2yLSuEgieBA==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-17T15:37:49.317241Z"},"content_sha256":"2163789f8632bdb397785707da6c33b48bd4e5bc0f9dddebd1a86f44368b9d4f","schema_version":"1.0","event_id":"sha256:2163789f8632bdb397785707da6c33b48bd4e5bc0f9dddebd1a86f44368b9d4f"},{"event_type":"graph_snapshot","subject_pith_number":"pith:2026:IF3HJCFIJHIY4FKCRKWIIFZ7HJ","target":"graph","payload":{"graph_snapshot":{"paper":{"title":"AI2Pot: A scalable and unified framework for machine-learning interatomic potential development and large-scale molecular dynamic simulations","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Hanyu Liu, Jian Zhou, Linggang Zhu, Ning Yang, Xuanguang Zhang, Zhimei Sun","submitted_at":"2026-07-08T03:47:18Z","abstract_excerpt":"Machine-learning interatomic potentials (MLIPs) bridge the accuracy of first-principles calculations and the efficiency required for large-scale molecular dynamics (MD) simulations. However, existing MLIP software remains fragmented across different model architectures, making it difficult to establish unified workflows that support flexible model development, efficient training, and scalable MD deployment. Here, we present AI2Pot, a scalable and unified MLIP framework that seamlessly integrates model training, evaluation, and large-scale MD simulations with PyTorch-compatible ecosystem. Inste"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.06969","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/2607.06969/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":"2026-07-09T00:19:41Z","supersedes":[],"prev_event":null,"signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"PjAoBO12EJ1X91J2sfRHO3GY6hls+PIS7XWpUFeSZcg685firrxaim24vKM0AoXo6zBEmJliIOig+rgzn2bKCg==","signed_message":"open_graph_event_sha256_bytes","signed_at":"2026-08-17T15:37:49.318201Z"},"content_sha256":"ce974ced686ec635fb7703d3ca01893b0d80d4215300e7948430c169ad174298","schema_version":"1.0","event_id":"sha256:ce974ced686ec635fb7703d3ca01893b0d80d4215300e7948430c169ad174298"}],"timestamp_proofs":[],"mirror_hints":[{"mirror_type":"https","name":"Pith Resolver","base_url":"https://pith.science","bundle_url":"https://pith.science/pith/IF3HJCFIJHIY4FKCRKWIIFZ7HJ/bundle.json","state_url":"https://pith.science/pith/IF3HJCFIJHIY4FKCRKWIIFZ7HJ/state.json","well_known_bundle_url":"https://pith.science/.well-known/pith/IF3HJCFIJHIY4FKCRKWIIFZ7HJ/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":"2026-08-17T15:37:49Z","links":{"resolver":"https://pith.science/pith/IF3HJCFIJHIY4FKCRKWIIFZ7HJ","bundle":"https://pith.science/pith/IF3HJCFIJHIY4FKCRKWIIFZ7HJ/bundle.json","state":"https://pith.science/pith/IF3HJCFIJHIY4FKCRKWIIFZ7HJ/state.json","well_known_bundle":"https://pith.science/.well-known/pith/IF3HJCFIJHIY4FKCRKWIIFZ7HJ/bundle.json"},"state":{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2026:IF3HJCFIJHIY4FKCRKWIIFZ7HJ","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":"242ed7ab7b0e13284474c7bd5db1fe300b3b8beb3d3431b29abed48c75ad332d","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-07-08T03:47:18Z","title_canon_sha256":"d42ee247a1e5fddd3859d91febf5cb0417ecf6e7bff3d1094f82e0cf7c797748"},"schema_version":"1.0","source":{"id":"2607.06969","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2607.06969","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"arxiv_version","alias_value":"2607.06969v1","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2607.06969","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"pith_short_12","alias_value":"IF3HJCFIJHIY","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"pith_short_16","alias_value":"IF3HJCFIJHIY4FKC","created_at":"2026-07-09T00:19:41Z"},{"alias_kind":"pith_short_8","alias_value":"IF3HJCFI","created_at":"2026-07-09T00:19:41Z"}],"graph_snapshots":[{"event_id":"sha256:ce974ced686ec635fb7703d3ca01893b0d80d4215300e7948430c169ad174298","target":"graph","created_at":"2026-07-09T00:19:41Z","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/2607.06969/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"Machine-learning interatomic potentials (MLIPs) bridge the accuracy of first-principles calculations and the efficiency required for large-scale molecular dynamics (MD) simulations. However, existing MLIP software remains fragmented across different model architectures, making it difficult to establish unified workflows that support flexible model development, efficient training, and scalable MD deployment. Here, we present AI2Pot, a scalable and unified MLIP framework that seamlessly integrates model training, evaluation, and large-scale MD simulations with PyTorch-compatible ecosystem. Inste","authors_text":"Hanyu Liu, Jian Zhou, Linggang Zhu, Ning Yang, Xuanguang Zhang, Zhimei Sun","cross_cats":[],"headline":"","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-07-08T03:47:18Z","title":"AI2Pot: A scalable and unified framework for machine-learning interatomic potential development and large-scale molecular dynamic simulations"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.06969","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":"sha256:2163789f8632bdb397785707da6c33b48bd4e5bc0f9dddebd1a86f44368b9d4f","target":"record","created_at":"2026-07-09T00:19:41Z","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":"242ed7ab7b0e13284474c7bd5db1fe300b3b8beb3d3431b29abed48c75ad332d","cross_cats_sorted":[],"license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2026-07-08T03:47:18Z","title_canon_sha256":"d42ee247a1e5fddd3859d91febf5cb0417ecf6e7bff3d1094f82e0cf7c797748"},"schema_version":"1.0","source":{"id":"2607.06969","kind":"arxiv","version":1}},"canonical_sha256":"41767488a849d18e15428aac84173f3a7499c61b4e90cbd4e9f1c2e97e0ecd3b","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"41767488a849d18e15428aac84173f3a7499c61b4e90cbd4e9f1c2e97e0ecd3b","first_computed_at":"2026-07-09T00:19:41.634215Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-09T00:19:41.634215Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"6L2UVs2rd3E792Ru8S/VsTYFZqhkcoOuLLrgsfz+lcDmnQojyK0Yo8EDBMB892siV3d+BzoXe3TR8CUS0h6pDg==","signature_status":"signed_v1","signed_at":"2026-07-09T00:19:41.634639Z","signed_message":"canonical_sha256_bytes"},"source_id":"2607.06969","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:2163789f8632bdb397785707da6c33b48bd4e5bc0f9dddebd1a86f44368b9d4f","sha256:ce974ced686ec635fb7703d3ca01893b0d80d4215300e7948430c169ad174298"],"state_sha256":"e3798d3582594890cf9e4c1fd48267e5a4d47541d3444f352b3a891306555f7c"},"bundle_signature":{"signature_status":"signed_v1","algorithm":"ed25519","key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signature_b64":"iA7d1LrCBE317S+Chgllt7NgAhCWNxOB7v5dKWKuCNU8cPT4zd7n3c6g7zH6qA7N3CFYQVxoa1wrvj4LeXZqCQ==","signed_message":"bundle_sha256_bytes","signed_at":"2026-08-17T15:37:49.327789Z","bundle_sha256":"f51e7f6928749be17420cb4871e06d8e63d9120da8a898e23c28a9b6f8453912"}}