EMSL Computing

LinkML schema for EMSL scientific data across biogeochemical, biological, and environmental domains. Defines samples, provenance, activities, and analytical products as the canonical source of truth for the Analysis API and database models (formerly analysis-api-schema).

Automated Workflow for Simulation of Proteins, Ligands, and Deep Eutectic Solvents for Rare Earth Element Systems

CoreMS is a comprehensive mass spectrometry software framework

INTEGRATOR is a robust, multi-stage integrative modeling workflow designed to elucidate the architecture of large, flexible, and multi-subunit protein assemblies that are challenging for traditional structural methods.

GRaph Identification of Proteins in TOMOgrams (GRIP-TOMO)

CoreMS Orchestrator is an AI-augmented desktop application for automated processing, molecular formula assignment, and intelligent interpretation of Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometry data.