| task_categories: | |
| - other | |
| pretty_name: OFoldX Chemical Component Dictionary | |
| # OFoldX Chemical Component Dictionary | |
| Content version: `wwpdb-ccd-snapshot-20261024T045615Z-sha256-d5be0434a719108e2dd50708b17b0af26b088c1ce7d751a668aeecf9bdc26949`. Format: `ofoldx.ccd/7`. | |
| Derived from the wwPDB Chemical Component Dictionary; upstream data usage terms and citation: https://www.wwpdb.org/data/ccd . | |
| Source: predownloaded local CCD snapshot (`components.cif.gz`) from https://files.wwpdb.org/pub/pdb/data/monomers/components.cif.gz. | |
| Upstream Last-Modified: `2026-10-24T04:56:15Z`; ETag: `"6732934184e72d31bd31667c59d79fe0-15"`. The local input SHA256 was independently verified against the complete upstream stream. | |
| Source SHA256: `d5be0434a719108e2dd50708b17b0af26b088c1ce7d751a668aeecf9bdc26949`. | |
| Artifact SHA256: `12f6ad94f268d06ed9c7d7c3e445f1ce4541cb7238f131e5b5f883bc9731d523`. | |
| Builder: `ofoldx.reference.ccd.build@uninstalled:sha256:c7ede185c73e4d3a7c882956dbd9d14affd820905abca0c167927da94098eef3`. Components: 51537. Builder source commit: `b3ce70c46f9cdd0bc962b827fc9e2a2ada2b2fed`. | |
| `components.safetensors` contains the canonical component definitions. `components.safetensors.provenance.json` records source identity and build findings. Definitions preserve unknown and contradicted facts; a successful build does not make all chemistry fully determined. | |
| OFoldX uses the cached `oteam/ccd` dataset by default. Download a chosen revision with `python -m ofoldx.reference.ccd download --repo-id oteam/ccd --revision COMMIT`, then set `OFOLDX_CCD_ARTIFACT` to the printed path. | |