Publish OFoldX chemical component dictionary
Browse files- .gitattributes +1 -0
- README.md +25 -0
- components.safetensors +3 -0
- components.safetensors.provenance.json +3 -0
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# Video files - compressed
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README.md
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---
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task_categories:
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- other
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pretty_name: OFoldX Chemical Component Dictionary
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---
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# OFoldX Chemical Component Dictionary
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Content version: `wwpdb-ccd-snapshot-20261024T045615Z-sha256-d5be0434a719108e2dd50708b17b0af26b088c1ce7d751a668aeecf9bdc26949`. Format: `ofoldx.ccd/7`.
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Derived from the wwPDB Chemical Component Dictionary; upstream data usage terms and citation: https://www.wwpdb.org/data/ccd .
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Source: predownloaded local CCD snapshot (`components.cif.gz`) from https://files.wwpdb.org/pub/pdb/data/monomers/components.cif.gz.
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Upstream Last-Modified: `2026-10-24T04:56:15Z`; ETag: `"6732934184e72d31bd31667c59d79fe0-15"`. The local input SHA256 was independently verified against the complete upstream stream.
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Source SHA256: `d5be0434a719108e2dd50708b17b0af26b088c1ce7d751a668aeecf9bdc26949`.
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Artifact SHA256: `12f6ad94f268d06ed9c7d7c3e445f1ce4541cb7238f131e5b5f883bc9731d523`.
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Builder: `ofoldx.reference.ccd.build@uninstalled:sha256:c7ede185c73e4d3a7c882956dbd9d14affd820905abca0c167927da94098eef3`. Components: 51537. Builder source commit: `b3ce70c46f9cdd0bc962b827fc9e2a2ada2b2fed`.
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`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.
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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.
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components.safetensors
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version https://git-lfs.github.com/spec/v1
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oid sha256:12f6ad94f268d06ed9c7d7c3e445f1ce4541cb7238f131e5b5f883bc9731d523
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size 134874161
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components.safetensors.provenance.json
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version https://git-lfs.github.com/spec/v1
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size 16691271
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