Record verified public dataset release and viewer checks

CITATION.cff

@@ -5,6 +5,7 @@ type: dataset
 url: "https://huggingface.co/datasets/SeanWan05/MolAS-Active-Learning"
 repository-code: "https://github.com/SeanWan514/MolAS_Active_Learning"
 version: "1.0.0"
+date-released: "2026-10-31"
 # Component-specific dataset/software terms are defined in LICENSE.
 authors:
   - family-names: Wan

SHA256SUMS

@@ -1,6 +1,6 @@
 cec476a795aba49e6a563eed9e996f1d0393ffeabc88203513297f486525d219  .gitattributes
 f31bfeb4b544fbc02c752d4b5e7752d2e293086591ed540099f4bb85dd86287b  .gitignore
-c9d764663ad69d34f180c54ffb892660782cc5787c124d3418f1dca6e742d782  CITATION.cff
+6cb63ecea5fbcb5c4f02f25d39ad4256963c2ce451a08c600787e251d163d184  CITATION.cff
 1fb7696aaaffba20b813c7b47193724f59f1b3a499c89855580db02d30e37bfa  LICENSE
 d7e2a35a4412988a0b0cc5c6283d3479c94efce479d7f2e5b05096070fe1e0e9  LICENSE_CODE
 a10126d405050c661035c53c45011044f0c4d5d48755d313de27eb8945cff60e  LICENSE_DATA.md
@@ -3357,6 +3357,7 @@ a3124f081e50572e2009d4d9c5ace4e905f37c62c78b91ef632e61a3cf1f553d  provenance/git
 1cc8055707a46f9867a59b9bdbb34d77a517b2e29740c41ac9975677ddd2b1ed  provenance/hf_configuration_validation.json
 7c52f68c0a3b5287e9c717fd874e53e3ab49b730feee48e4f38acf42eba5e09d  provenance/hf_hygiene_validation.json
 812ec9e75cbabdeee09c71868c8e2eb56d4e31f79b6e6e2fb82df18b15caac74  provenance/hf_link_validation.json
+3390e2ced66b3bcc86a1d8e44db6f4aee41c57b073af22bc91bdc5ddd042464c  provenance/hf_publication_verification.json
 7e4eba7254f1dac131f5f5d694a903f487b0c39639954604a205159adce87bf0  provenance/hf_release_authorization.json
 723074655f903ce36cad093537af660906c63f463cf5b25d308987f1a39efd2e  provenance/hf_remote_card_validation.json
 fca52252fd1decbe450e8e5e78ec59e9dae74eedb2524f65fa3265626eaf30db  provenance/hf_source_snapshot.json
@@ -3384,7 +3385,7 @@ a695104b5c94de23ee53f422b3ad8ab77e9bea8e61d71699cae6e1562fcef7d3  provenance/pap
 00d193ed0b40559d05619ee65bbd4bb2f1945f626aaf1d2b39c3e0aedcd9fa8d  provenance/pinned_acquisition_files.jsonl.gz
 c113a9b069fdef26ec5a70c35c30616ebb133c88a9e37e371f8fc3d71793e7c6  provenance/pinned_acquisition_summary.json
 ce495b4776d47b9fddf7b251c6893608a9a2c3f0fbe4420787c5e4c1d1e33090  provenance/pinned_acquisition_tree.txt.gz
-b15fc1c0fbf3f6cb78c15a4a121e7c8a2dc3f4a3f7fbc76646e297976fd84743  provenance/release_status.json
+3479369df1e953fcae79e24815b572619e9c18dbc1e8c3cc4e96faf882b31bd2  provenance/release_status.json
 2d3b252cdfac78c7f000e69e732a49583e35a4c2d63d177e4ee0b68340ee5812  provenance/source_copy_verification.json
 ae994dd7ad38ebc1930b02d61a22ac02007ad00fef3816e14387630bc6b35c5d  requirements-hub.txt
 39da1bbd7107f1dbdba76c743fc4551cc59e918009d18f3e696a661b8aa822b6  requirements.txt
@@ -5292,6 +5293,6 @@ ce04d4aa1df7e67aab7839618155600654ad14e32cbde670756a2e74d818e90a  scripts/valida
 89c8f8ed8b5ea885d908279b2aa7a8bdf843d12a2f5ea08b6d65aff9002b5f86  scripts/verify_acquisition_archive.py
 c1c5202d212f4a4dbfd9338318267ec739378afb5648727e68019eacd0dcaae6  scripts/verify_feature_cache_alignment.py
 1c5d54bec36270aba7b51ba1a8a6b4e1393925147268e9fb3f58c838f5dc7c33  scripts/verify_full_acquisition_alignment.py
-18ec9dd16597fb15af814ba4254e3faa1a7a17938379839bd0e1201868c2f85a  scripts/verify_hf_package.py
+f468a1350f30ac014db2b158b55282fabf49fc82f077c46f81252cfd4c4581f2  scripts/verify_hf_package.py
 3ad0dc847fac5325fff22fdd274b6e25d7cda1e77665eafcd27bee82f3954444  scripts/verify_repository.py
-34f5b760228dc35f46163dc72623cc8124719d024b387a1f3a503d8a9dbd8abc  provenance/repository_files.json
+697800517bf71d9f8122380aa2100559b501bc0d7c5b2b92134769b792cd0050  provenance/repository_files.json

provenance/final_verification.json

@@ -1,14 +1,14 @@
 {
   "scope": "Complete local HF upload payload, including all graph bytes; no scientific experiments",
-  "checked_files": 5296,
-  "checked_bytes": 15452449798,
+  "checked_files": 5297,
+  "checked_bytes": 15452453530,
   "protein_graph_files": 3179,
   "integrity_passed": true,
   "errors": [],
   "source_bytes_verified": true,
   "upload_payload_complete": true,
   "publication_ready": true,
-  "public_upload_performed": false,
+  "public_upload_performed": true,
   "new_scientific_experiments": false,
   "original_data_validation_passed": true,
   "core_acquisition_inputs_complete": true,
@@ -46,5 +46,10 @@
   },
   "author_owned_data_license": "CC-BY-4.0",
   "mixed_bundle_license_metadata": "other",
-  "upload_helper_plan_only_check_passed": true
+  "upload_helper_plan_only_check_passed": true,
+  "initial_complete_publication_revision": "84a242a0e8a9acfbad27590da2c569230b142037",
+  "public_files_and_content_identities_verified": true,
+  "all_nine_viewer_configurations_verified": true,
+  "default_viewer_rows": 22253,
+  "remaining_publication_work": []
 }

provenance/hf_publication_verification.json

@@ -0,0 +1,92 @@
+{
+  "scope": "Verified initial complete publication; subsequent metadata-only updates preserve scientific payloads.",
+  "initial_complete_publication": {
+    "dataset_url": "https://huggingface.co/datasets/SeanWan05/MolAS-Active-Learning",
+    "public_ungated": true,
+    "verified_revision": "84a242a0e8a9acfbad27590da2c569230b142037",
+    "verified_remote_files": 5299,
+    "tree_pages": 7,
+    "lfs_sha256_identities_verified": 3310,
+    "regular_git_blob_identities_verified": 1989,
+    "all_local_upload_paths_and_content_identities_match": true,
+    "missing_files": [],
+    "extra_files": [],
+    "protein_graph_files": 3179,
+    "remote_license_metadata": "other; explicit component-specific license",
+    "viewer_configurations_in_remote_card": 9,
+    "anonymous_sample_downloads": [
+      {
+        "path": "README.md",
+        "bytes": 13968,
+        "sha256": "9226c1b390a23f6332786d3aaf35df4d6c8f326d280318a896d0e13b76744c53",
+        "anonymous_download_verified": true
+      },
+      {
+        "path": "LICENSE",
+        "bytes": 1439,
+        "sha256": "1fb7696aaaffba20b813c7b47193724f59f1b3a499c89855580db02d30e37bfa",
+        "anonymous_download_verified": true
+      },
+      {
+        "path": "data/viewer/benchmark_cells.csv",
+        "bytes": 1929598,
+        "sha256": "a72dd948067f1e1cdf97403576e501913aaa1ed6ccbeb48b1b63bf890bb15e97",
+        "anonymous_download_verified": true
+      },
+      {
+        "path": "data/features/complex_features_ligand_protein_d256_seed0.npy",
+        "bytes": 3255424,
+        "sha256": "10b4a50f5cfc3de000ab06d0b8112146486e63571ad9db252455dd5af3976a91",
+        "anonymous_download_verified": true
+      },
+      {
+        "path": "data/external/protein_graphs_esmc_600m/pyg_graph_19gs_BSP_A_210_esmc_600m.pt",
+        "bytes": 2122216,
+        "sha256": "f792a9043fbac07766af5ddfe95d0473afbd186f8582b2f8ce3a8847b8455d80",
+        "anonymous_download_verified": true
+      },
+      {
+        "path": "paper/AI4DD52_camera_ready.pdf",
+        "bytes": 5730579,
+        "sha256": "bf1cbf5f3533a3ec07c09817c035fbbc532ff3c47facd0e00b92c1a46cb79a11",
+        "anonymous_download_verified": true
+      }
+    ]
+  },
+  "viewer_verification": {
+    "dataset": "SeanWan05/MolAS-Active-Learning",
+    "expected_configurations": 9,
+    "available_configurations": 9,
+    "missing_configurations": [],
+    "pending": [],
+    "failed": [],
+    "observed_row_counts": {
+      "benchmark_cells": 22253,
+      "acquisition_scores": 3179,
+      "folds": 3179,
+      "native_evaluation_scores": 3179,
+      "pb_ratio": 3179,
+      "physical_descriptors": 3179,
+      "protein_graph_index": 3179,
+      "rmsd": 3179,
+      "runtime": 3179
+    },
+    "expected_row_counts": {
+      "benchmark_cells": 22253,
+      "rmsd": 3179,
+      "pb_ratio": 3179,
+      "runtime": 3179,
+      "acquisition_scores": 3179,
+      "native_evaluation_scores": 3179,
+      "folds": 3179,
+      "physical_descriptors": 3179,
+      "protein_graph_index": 3179
+    },
+    "all_expected_row_counts_match": true,
+    "all_nine_previews_available": true,
+    "default_first_row_matches_source": true,
+    "public_viewer_verified": true
+  },
+  "upload_client": "official huggingface_hub 1.19.0 with hf_xet 1.8.0",
+  "scientific_experiments_executed": false
+}

provenance/release_status.json

@@ -4,7 +4,7 @@
   "publication_ready": true,
   "upload_payload_complete": true,
   "full_reproduction_ready": false,
-  "public_upload_performed": false,
+  "public_upload_performed": true,
   "graph_files": 3179,
   "graph_bytes": 14985036224,
   "original_acquisition_csv_identities": 27000,
@@ -16,12 +16,15 @@
   "author_owned_data_license": "CC-BY-4.0",
   "bundle_license": "component-specific; see LICENSE",
   "new_scientific_experiments_executed": false,
-  "remaining_items": [
-    "Upload this complete payload to the chosen Hugging Face dataset repository; verify anonymous access and the actual published revision before inserting its URL in the paper."
-  ],
+  "remaining_items": [],
   "interpretation": "Local upload readiness, not an assertion of completed public upload or fresh historical scientific reproduction.",
   "remote_hf_card_metadata_validation_passed": true,
   "dataset_repository": "SeanWan05/MolAS-Active-Learning",
   "dataset_url": "https://huggingface.co/datasets/SeanWan05/MolAS-Active-Learning",
-  "publication_state": "upload_in_progress"
+  "publication_state": "publicly_verified",
+  "verified_initial_dataset_revision": "84a242a0e8a9acfbad27590da2c569230b142037",
+  "public_ungated_access_verified": true,
+  "all_uploaded_file_identities_verified": true,
+  "all_nine_viewer_configurations_verified": true,
+  "dataset_snapshot_version": "1.0.0"
 }

provenance/repository_files.json

@@ -6,8 +6,8 @@
     "provenance/final_verification.json",
     "provenance/repository_files.json"
   ],
-  "total_files": 5296,
-  "total_bytes": 15452450096,
+  "total_files": 5297,
+  "total_bytes": 15452453530,
   "files": [
     {
       "path": ".gitattributes",
@@ -21,8 +21,8 @@
     },
     {
       "path": "CITATION.cff",
-      "bytes": 1133,
-      "sha256": "c9d764663ad69d34f180c54ffb892660782cc5787c124d3418f1dca6e742d782"
+      "bytes": 1161,
+      "sha256": "6cb63ecea5fbcb5c4f02f25d39ad4256963c2ce451a08c600787e251d163d184"
     },
     {
       "path": "LICENSE",
@@ -16804,6 +16804,11 @@
       "bytes": 151,
       "sha256": "812ec9e75cbabdeee09c71868c8e2eb56d4e31f79b6e6e2fb82df18b15caac74"
     },
+    {
+      "path": "provenance/hf_publication_verification.json",
+      "bytes": 3273,
+      "sha256": "3390e2ced66b3bcc86a1d8e44db6f4aee41c57b073af22bc91bdc5ddd042464c"
+    },
     {
       "path": "provenance/hf_release_authorization.json",
       "bytes": 533,
@@ -16941,8 +16946,8 @@
     },
     {
       "path": "provenance/release_status.json",
-      "bytes": 1278,
-      "sha256": "b15fc1c0fbf3f6cb78c15a4a121e7c8a2dc3f4a3f7fbc76646e297976fd84743"
+      "bytes": 1358,
+      "sha256": "3479369df1e953fcae79e24815b572619e9c18dbc1e8c3cc4e96faf882b31bd2"
     },
     {
       "path": "provenance/source_copy_verification.json",
@@ -26481,8 +26486,8 @@
     },
     {
       "path": "scripts/verify_hf_package.py",
-      "bytes": 3766,
-      "sha256": "18ec9dd16597fb15af814ba4254e3faa1a7a17938379839bd0e1201868c2f85a"
+      "bytes": 3819,
+      "sha256": "f468a1350f30ac014db2b158b55282fabf49fc82f077c46f81252cfd4c4581f2"
     },
     {
       "path": "scripts/verify_repository.py",

scripts/verify_hf_package.py

@@ -61,7 +61,8 @@ def main():
               'integrity_passed': not errors, 'errors': errors,
               'source_bytes_verified': source['passed'],
               'upload_payload_complete': status['upload_payload_complete'],
-              'publication_ready': status['publication_ready'], 'public_upload_performed': False,
+              'publication_ready': status['publication_ready'],
+              'public_upload_performed': status.get('public_upload_performed', False),
               'new_scientific_experiments': False}
     print(json.dumps(report, indent=2))
     return 1 if errors else 2 if args.strict_release and not status['publication_ready'] else 0