NW-BRaVE Software

The NW-BRaVE initiative seeks to uncover the molecular mechanisms and interactions driving pathogen-host relationships and host shifts, featuring advanced capabilities such as PTM-Psi, PIML-omics, ADEPT, GRIP-Tomo, and EcoKMER to advance biopreparedness research.

A visual depicting the computational tools and steps used to surveil host-pathogen interactions through multimodal data integration. — PNNL researchers are using a combination of computational capabilities to surveil host-pathogen interactions through multimodal data integration. Researchers aim to build an agnostic data integration platform for transforming data across its life cycle with consistent information.

NW-BRaVE Github

github.com/nwbrave

PTM-Psi

A Python package to facilitate the computational investigation of posttranslational modification on protein structures and their impacts on dynamics and functions

Source code: https://github.com/pnnl/PTMPSI
Publication: https://onlinelibrary.wiley.com/doi/10.1002/pro.4822, https://pubs.acs.org/doi/full/10.1021/acs.jcim.5c01661

PIML-omics

Physics-informed machine learning from multiomics data

Source code: https://github.com/PNNL-Predictive-Phenomics/PIMLomics
Publication: https://journals.aps.org/prxlife/abstract/10.1103/l2dp-kw2t

ADEPT

Agentic discovery and exploration platform for tools

Source code: https://github.com/pnnl/adept-agentic-framework-core

GRIP-Tomo (Graph Identification of Proteins in Tomograms)

Source code: https://github.com/EMSL-Computing/grip-tomo
Publication: https://onlinelibrary.wiley.com/doi/10.1002/pro.4538 (version 1.0), https://arxiv.org/abs/2510.22167 (version 2.0)

EcoKMER

EcoKMER is a Shiny web application for ecological data analysis and visualization, featuring interactive maps, data processing tools, and Python integration for advanced analytics.

Source code: https://github.com/NWBRaVE/EcoKMER