Update README.md

README.md

@@ -1,3 +1,17 @@
+---
+license: cc-by-nc-4.0
+---
+
 # Ibis
 
-Pytorch checkpoint for the Ibis model: flow-matching conformational ensemble generator at Cα resolution.
+Ibis is a flow-matching model that generates conformational ensembles of proteins at Cα resolution from their amino acid sequence. It is the model studied in [Ablating Design Choices for Protein Ensemble Generators Across Structural Regimes](https://arxiv.org/abs/2611.05055) (Quinn & Bent, 2026). "Ibis" is our internal name for it, the paper does not use it.
+
+## Checkpoints
+
+| File | In the paper | Training data for disordered proteins |
+|---|---|---|
+| `base/model.ckpt` | Base | CALVADOS coarse-grained simulations |
+| `mix/model.ckpt` | Fragment 50% | half CALVADOS simulations, half IDRome-o fragment-assembled ensembles |
+
+Both models are also trained on AlphaFold DB structures of folded proteins and on CALVADOS simulations of multi-domain proteins. They take sequences of up to 510 residues. In the paper's evaluation against experimental data, `mix` agreed better with NMR chemical shifts and slightly worse with SAXS than `base`.
+