Register training material
1 material found

Contributors: Harry Sarimveis, NTUA 


Jaqpot Hackathon - Training materials

Under the subtitle “Take your research from the bench to the community by making your models available as a web service”, attendees learned how to use the Jaqpot suite and python to go from data to model, starting from a common CSV file. Jaqpot is a computational platform for in silico...

Keywords: nanoinformatics, toxicity prediction, e-tools, Modeling, data FAIRness

Jaqpot Hackathon - Training materials https://tess.elixir-europe.org/materials/jaqpot-hackathon-training-materials Under the subtitle “Take your research from the bench to the community by making your models available as a web service”, attendees learned how to use the Jaqpot suite and python to go from data to model, starting from a common CSV file. Jaqpot is a computational platform for in silico modelling of chemical compounds, that provides both access to its services both over a User Interface (GUI) and an Application Programming Interface (API). It is a cloud-ready application that uses the benefits of Java, R and Python, having incorporated functionality by various established and open-source machine learning and data analysis toolkits, while algorithms in any programming algorithm can be added to Jaqpot. Attached you find the following presentations: 1. Intro to NanoCommons by Martin Himly, PLUS 2. Electronic Lab Notebooks by Iseult Lynch, UoB 3. NanoCommons Knowledgebase by Dieter Maier, Biomax 4. Jaqpot Suite by Philip Doganis, NTUA Lee Walker, UKCEH Christine Balmer, UKCEH Irini Liampa, NTUA Pantelis Karatzas, NTUA Beatriz Alfaro Serrano, BNN Harry Sarimveis, NTUA nanoinformatics, toxicity prediction, e-tools, Modeling, data FAIRness