MS2Query case study files

by de Jonge, Niek

MS2Query negative mode model and library 15_12_21

by de Jonge, Niek

MS2Query pre-trained embeddings and models 15-12-2021

by de Jonge, Niek

Cleaned and split GNPS dataset for training MS2Query of 24-11-2021

by de Jonge, Niek

MS2Query results 20-fold cross validation

by de Jonge, Niek

MS2Query pre-trained embeddings and models 15-12-2021

by de Jonge, Niek

Cleaned libraries and settings matchms library cleaning pipeline

by de Jonge, Niek, Hecht, Helge, van der Hooft, Justin, Huber, Florian

Reproducible MS/MS library cleaning pipeline in matchms

by de Jonge, Niek F., Hecht, Helge, Strobel, Michael, Wang, Mingxun, van der Hooft, Justin J.J., Huber, Florian

Ranunculales supplementary data

by Mutabdžija, Lana, Myoli, Akhona, de Jonge, Niek, Damiani, Tito, Schmid, Robin, van der Hooft, Justin, Tugizimana, Fidele, Pluskal, Tomáš

Tandem Mass Spectrometry Dataset for Machine Learning in Metabolomics

by Strobel, Michael, de Jonge, Niek, Gil de la Fuente, Alberto, Hecht, Helge, van der Hooft, Justin, Huber, Florian, Wang, Mingxun

Good practices and recommendations for using and benchmarking computational metabolomics metabolite annotation tools

by de Jonge, Niek F., Mildau, Kevin, Meijer, David, Louwen, Joris J.R., Bueschl, Christoph, Huber, Florian, van der Hooft, Justin J.J.

MS2Query : Reliable and scalable MS2 mass spectra-based analogue search

by de Jonge, Niek F., Louwen, Joris J.R., Chekmeneva, Elena, Camuzeaux, Stephane, Vermeir, Femke J., Jansen, Robert S., Huber, Florian, van der Hooft, Justin J.J.