Upload README.md

README.md

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+---
+pretty_name: Protein Conformational Dynamics Embeddings
+license: other
+task_categories:
+- tabular-classification
+tags:
+- protein
+- protein-embeddings
+- structural-biology
+- conformational-dynamics
+---
+
+# Protein Conformational Dynamics Embeddings
+
+This dataset contains 8,598 protein sequences with operational dynamic or static labels, provenance, homology-aware frozen train/validation/test assignments, and residue-level embeddings used in the associated study.
+The class balance is 4,289 dynamic and 4,309 static proteins.
+
+## Files
+
+- `manifest.csv` and `manifest.parquet` contain the same protein-level records and exact shard/member locations.
+- `embeddings/esmfold/*.tar` contains 8,598 ESMFold folding-trunk embeddings with width 1,024.
+- `embeddings/bioemu/*.tar` contains 8,572 BioEMU AlphaFold2 Evoformer single embeddings with width 384.
+- `embeddings/bioemu-no-msa/*.tar` contains 8,572 query-only BioEMU embeddings with width 384.
+- `checksums.sha256` records SHA-256 checksums for every published file.
+
+Each tar archive is flat and contains files named by sequence SHA-256.
+The manifest identifies the archive and member for every available representation.
+BioEMU is unavailable for 26 proteins, which is recorded explicitly rather than imputed.
+Randomly initialized trunk embeddings are not part of this release.
+ESM2 3B embeddings are not included in this initial upload because their local artifacts were unavailable for verification.
+
+## Splitting and reuse
+
+Use the provided `split` and `homology_group_id` fields for the frozen homology-aware evaluation.
+Do not make random row-level splits when comparing with the reported results.
+Labels are operational dataset annotations based on the evidence and screening procedures described by their source provenance, not universal experimental proof of rigidity or motion.
+
+## Licensing
+
+The project-authored manifest and annotations are released under CC BY 4.0.
+Underlying sequences, identifiers, derived embeddings, and source-linked metadata retain the terms and attribution requirements of their originating resources and model licenses.
+Users are responsible for complying with those upstream terms.
+
+Repository: `archiitecture/dynamic-proteins`.