format stringclasses 1
value | record_top_level_type stringclasses 1
value | fields dict | audit_scope stringclasses 1
value | frozen_splits dict |
|---|---|---|---|---|
jsonl | object | {
"coords": "list",
"ec4": "list",
"ligand_coords": "list",
"ligand_feats": "list",
"ligands": "list",
"motifs": "list",
"pdbs": "list",
"pocket_coords": "list",
"pocket_idxs": "list",
"proteins": "list",
"seqs": "list",
"types": "list"
} | Top-level fields and value types were verified from the first valid record of each frozen processed split on 2026-08-23. This schema does not assert nested tensor/list shapes. | {
"train": "enzypock_train.jsonl",
"validation": "enzypock_val_filter.jsonl",
"test": "enzypock_test_filter.jsonl"
} |
EnzyPock
Release status
This repository is a public metadata-only release for the frozen EnzyPock processed splits used by EnzyPGM/PEGM.
The processed JSONL payloads are not redistributed on Hugging Face because the release audit found PDBbind-derived records and third-party redistribution authorization has not been established. The public repository therefore contains only schema, checksums, and acquisition/provenance notes.
本仓库公开 EnzyPock 冻结 processed splits 的 schema、checksum 与获取/来源说明。由于项目来源审计确认数据中包含 PDBbind-derived records，且尚未确认第三方再分发授权，因此不在 Hugging Face 上传三个 processed JSONL payload。
Frozen splits
| Split | Rows | Size (bytes) | SHA256 |
|---|---|---|---|
| train | 83,062 | 2,181,803,557 | 831a2d1d439c10bf15f1e39b0ff9c50d90f1ab7c66e2d9e7c96b9b73251ad74c |
| validation | 483 | 12,241,815 | a9f7590988649d6ddf8701ebccac09a198af807e1168b4e773b12966623776b9 |
| test | 791 | 20,176,619 | 3a61684d7bcb3ef5a70c20ae04d54de61ed77f2f1ba68efc2f82f9d359c0be24 |
Schema
Top-level JSON fields:
coords, ec4, ligand_coords, ligand_feats, ligands, motifs, pdbs, pocket_coords, pocket_idxs, proteins, seqs, types.
See schema.json for the release-level schema record and SHA256SUMS for frozen checksums.
Provenance
Project records describe EnzyPock as an enzyme–substrate dataset constructed from protein–ligand complexes including PDBbind and CrossDocked, followed by enzyme/EC annotation and pocket-oriented processing.
The release manifest freezes the exact processed-split row counts and SHA256 hashes used by the project without redistributing upstream-restricted payloads.
Redistribution boundary
PDBbind+ Terms of Use restrict redistribution of raw and derivative data to third parties without specific authorization. This release therefore does not include the processed JSONL files.
If redistribution authorization is obtained later, any newly uploaded payload must match the frozen SHA256 values above before it is treated as the canonical EnzyPock split.
See ACQUISITION.md for the current release gate.
Related model
EnzyPGM model repository: jojojoojooo/EnzyPGM (currently private).
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