Publish v1.0.0

README.md

@@ -1,3 +1,32 @@
 ---
 license: apache-2.0
+library_name: nesso
+tags:
+  - structure-based-drug-design
+  - binding-affinity
+  - protein-ligand
+  - drug-discovery
+pipeline_tag: other
 ---
+
+# Model Card for Nesso-1
+
+Nesso-1 is a fast, structure-based protein–ligand binding-affinity model. Given a
+protein sequence and a ligand (SMILES / CCD code / SDF), it predicts a binding
+affinity scalar along with a binder/non-binder score.
+
+- **Developed by:** [Valence Labs](https://valencelabs.com) ([Recursion](https://recursion.com))
+- **Input modality:** Protein Amino-Acid sequence + Ligand (SMILES, CCD code, or SDF)
+- **License:** [Apache License 2.0](https://huggingface.co/recursionpharma/nesso/blob/main/LICENSE)
+- **Paper:** [Technical Report](link)
+
+For full method details and evaluations, see the [Technical Report](link) and [Github](https://github.com/recursionpharma/nesso/)
+
+## Documentation
+
+Install the package, run predictions, and explore examples from the GitHub repository:
+
+- [README](https://github.com/recursionpharma/nesso) — installation, quick start, and development setup
+- [docs/prediction.md](https://github.com/recursionpharma/nesso/blob/main/docs/prediction.md) — CLI options, input YAML schema, and output format
+- [tutorial/](https://github.com/recursionpharma/nesso/tree/main/tutorial) — runnable YAML examples and feature extraction
+- [Issues](https://github.com/recursionpharma/nesso/issues) - For questions related to weights, model code, please raise issues here.