Feat: cyclic inference (#552)

* feat: inference for cyclic peptides

* chore: update README

* chore: lint

* chore: lint

* chore: cleanup if statement
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Tuscan R Thompson
2025-10-24 16:27:42 -07:00
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parent d10cc62c69
commit de64112d89
8 changed files with 61 additions and 2 deletions

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@@ -575,6 +575,8 @@ If inputs are given in a form that specifies chirality, the model will receive t
- **`template_selection`** *(optional)*: Selection syntax to provide token-level templates (for both polymers and non-polymers). Uses `AtomSelection` format. Similar to traditional homology-style templates, but also can be applied to small molecules (less rigidly adhered to than the `ground_truth_conformer_selection` approach). See <a>TODO: HREF TO TEMPLATING, SET ID</a> for more information.
- **`cyclic_chains`** *(optional)*: List of strings of chain ids that should be cyclized. If given a cif, the model will automatically detect cyclization.
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