π-MSNet: A billion-scale, AI-ready living proteomics data portal
Dai, C.; Liu, Y.; Ling, T.; Qiu, Y.; Xu, H.; Zhang, Q.; Huang, X.; Zhu, Y.; Sachsenberg, T.; Bai, M.; He, F.; Perez-Riverol, Y.; Xie, L.; Chang, C.
Show abstract
Artificial intelligence (AI) is reshaping proteomics workflows, delivering remarkable gains in both peptide identification sensitivity and quantitative performance. However, the potential of deep learning models in proteomics has not been fully exploited due to the scarcity of large-scale, high-quality and consistently labeled datasets. Here, we present {pi}-MSNet, a billion-scale, AI-ready living mass spectrometry (MS) data portal. Using a uniform identification and quality control workflow, it comprises over 1.66 billion MS/MS spectra, 501 million peptide-spectrum matches (PSMs), and 9 million precursors from 36,356 LC-MS/MS runs across ten instrument types and 55 diverse species. Through community collaboration, the data are shared via international, interactive, and living web resources. Enabled by the built-in MSNetLoader Python API for seamless and scalable data access--with native support for PyTorch and TensorFlow--{pi}-MSNet provides an AI-ready data framework for efficient training and systematic benchmarking of multiple models across three representative tasks (e.g., MS/MS spectrum prediction, retention time prediction, and de novo peptide sequencing). In particular, by retraining multiple models on {pi}-MSNet, we achieved consistent performance improvements over their original versions. These improved models were subsequently integrated into the {pi}-MSNet agent to enable interactive, deployment-free use. Through SDRF (Sample and Data Relationship Format) metadata, an open-source cloud analysis workflow, and a community-driven interactive data portal that supports continuous data submission, {pi}-MSNet serves as a living, AI-ready resource for reproducible benchmarking, robust model training, and accelerated AI innovation in proteomics.
Matching journals
The top 3 journals account for 50% of the predicted probability mass.
Similar papers in this journal
- Peak identification and quantification by proteomic mass spectrogram decomposition 97%
- To fly, or not to fly, that is the question: A deep learning model for peptide detectability prediction in mass spectrometry 97%
- Inserting Pre-Analytical Chromatographic Priming Runs Significantly Improves Targeted Pathway Proteomics With Sample Multiplexing 97%
Similar papers in this journal
"Similar papers" are the closest papers from that journal in the model's embedding space. They show what the match is built on, but the ranking comes mostly from a classifier over the whole training set, not from these examples alone.