NPLIB-1

NPLIB-1 is a benchmark dataset used to evaluate the performance of molecular generation models, specifically in the context of generating molecular structures from mass spectra.

Papers using NPLIB-1 (6)

Test-Time Tuned Language Models Enable End-to-end De Novo Molecular Structure Generation from MS/MS Spectra2025 · 2 citesDe Novo Molecular Generation from Mass Spectra via Many-Body Enhanced Diffusion2026 · 1 citesUnlocking High-Fidelity Molecular Generation from Mass Spectra via Dual-Stream Line Graph Diffusion2026FRIGID: Scaling Diffusion-Based Molecular Generation from Mass Spectra at Training and Inference Time2026FlowMS: Flow Matching for De Novo Structure Elucidation from Mass Spectra2026MS-BART: Unified Modeling of Mass Spectra and Molecules for Structure Elucidation2025