Nesso-1
Rank a small-molecule panel against one protein sequence with Nesso-1 affinity predictions.
Overview
Nesso-1 screens small molecules independently against one protein sequence, predicting affinity and a binder classification score. Use the ranked results to prioritize experiments, not as calibrated experimental affinities or proof of binding.
Run Nesso-1 on Neurosnap
The Nesso-1 online webserver allows anybody with a Neurosnap account to run and access Nesso-1, no downloads required. Information submitted through this webserver is kept confidential and never sold to third parties as detailed by our strong Terms of Use and Privacy Policy.
Features
- Screens each molecule independently against the same protein; molecules are not modeled together as cofactors.
- Accepts SMILES, CCD codes, and SDF structures; retains supplied 3D SDF conformers and generates conformers for 2D SDF, SMILES, and CCD inputs.
- Returns ranked affinity estimates, predicted pIC50, binder classification scores, and ligand-placement diagnostics.
- Uses the Apache-2.0 licensed Nesso-1 model from Recursion.
Statistics
Neurosnap periodically calculates runtime statistics based on job execution data. These estimates provide a general guideline for how long your job may take, but actual runtimes can vary significantly depending on factors like input size or settings used.
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API Request
Access Nesso-1 using the Neurosnap API by sending a request using any programming language with HTTP support. To safely generate an API key, visit the API tab of your overview page.
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Citations
Please cite the original work when using Nesso-1 in publications or research outputs.
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Shenoy, N., et al. “Nesso-1: Accelerating Open-Source Binding Affinity Predictions.” bioRxiv (2026). https://doi.org/10.64898/2026.08.01.742196. |
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Neurosnap Inc. (2022). Neurosnap: An online platform for computational biology and chemistry. Available at: https://neurosnap.ai/ |