Jaqpot Hackathon - Training materials

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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

DOI: 10.5281/zenodo.3908229

Licence: Creative Commons Attribution Non Commercial 4.0 International

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

Authors: Martin Himly, PLUS, Iseult Lynch, UoB, Dieter Maier, Biomax, Philip Doganis, NTUA

Contributors: Lee Walker, UKCEH, Christine Balmer, UKCEH, Irini Liampa, NTUA, Pantelis Karatzas, NTUA, Beatriz Alfaro Serrano, BNN, Harry Sarimveis, NTUA

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