Data

Open Science Resources

We believe in advancing the field through open science. Below are datasets we plan to make available to the research community.

Available Datasets

Peptide-Protein Binding Benchmark

Open Access

Curated dataset of experimentally validated peptide-protein binding affinities for ML model training and benchmarking.

CSV, SDFComing Soon

De Novo Design Candidate Library

Request Access

Computationally designed peptide candidates from our de-novo design campaigns, including predicted binding poses and scores.

SDF, PDBComing Soon

ADMET Prediction Training Set

Open Access

Molecular property data used to train our ADMET prediction models, with experimental validation annotations.

CSV, SMILESComing Soon

MD Simulation Trajectories

Request Access

Selected molecular dynamics trajectories for peptide-protein complexes, useful for method development.

XTC, GROComing Soon

Data Access Policy

Open Access datasets are freely available for academic and non-commercial research. Commercial use requires a separate license agreement.

Request Access datasets contain proprietary or sensitive data. Access is granted on a case-by-case basis for qualified researchers. Please contact us with your intended use case.

All datasets are provided "as-is" without warranty. Please cite Axia Discovery in any publications that use our data.

Questions about our data?

For data access requests, collaboration inquiries, or questions about our datasets, please get in touch.

Contact Data Team