Commit History
3 days ago
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Document and test RFD4's batching contract for several designs
No change to how write_cif indexes anything. RFD4 replicates at collate time -- datapipes/collate.py does `[sample for sample in samples for _ in range(num_replicates)]` -- so every per-row quantity already has one row per design by the time anything reads it, and the export loop in proteina.py reads row i of each. write_cif already did the same thing, and keeping it that way is the point: this package indexes the way RFD4 indexes. What was missing was saying so, and testing it. The README example replicated with `repeat`, which tiles; an input's designs sit together, so it must be `repeat_interleave`, and the difference is invisible for one input and wrong for more than one. It now also shows `num_designs_per_prompt` alongside the replication, since a pipeline repeating its input internally still leaves the caller to replicate the features it passes back in. Tests cover one and three designs with replicated features, that unreplicated features raise IndexError on the second design r…33517d4 -
Skip the custom-block test when diffusers is absent
`pytest` failed at collection for anyone who installed this package and its documented test extra and nothing else: tests/test_custom_block.py imports `diffusers` at module scope, and `diffusers` is not a dependency here -- the `test` extra is pytest alone. The failure is a collection error, so it took the whole suite down with it rather than just that file. `pytest.importorskip("diffusers")` before the import, which is what test_prepare.py already does for `atomworks`. Behaviour is unchanged wherever diffusers is installed; where it is not, the module skips and the rest of the suite runs. Verified against a wheel built from this repository and installed without diffusers: 2 passed, 1 skipped, where it was previously 1 error. Declaring diffusers in the test extra would also work, but it would make the package's own tests pull the library that depends on it, so skipping is the lighter answer. Co-Authored-By: Claude Opus 5 <noreply@anthropic.com>040b0b2 -
Add modular CIF helper and non-antibody Studio input catalog
Verified signatureAdditive helper, pinned example runner and CPU tests. Existing preprocessing source, model weights and repository visibility are unchanged.5ab5b72
7 days ago
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Add the annotated-CIF preparation and export package for the Diffusers RFD4-Proteina pipeline
Verified signature75b53c6