metadata
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 (Recursion)
- Input modality: Protein Amino-Acid sequence + Ligand (SMILES, CCD code, or SDF)
- License: Apache License 2.0
- Paper: Technical Report
For full method details and evaluations, see the Technical Report and Github
Documentation
Install the package, run predictions, and explore examples from the GitHub repository:
- README — installation, quick start, and development setup
- docs/prediction.md — CLI options, input YAML schema, and output format
- tutorial/ — runnable YAML examples and feature extraction
- Issues - For questions related to weights, model code, please raise issues here.