What is a Collection?
2 Collections visible to you, out of a total of 2

Interactive Jupyter Notebooks in combination with Conda environments can be used to generate FAIR (Findable, Accessible, Interoperable and Reusable/Reproducible) biomolecular simulation workflows. The interactive programming code accompanied by documentation, and the possibility to inspect intermediate results with versatile graphical charts and data visualization is very helpful, especially in iterative processes, where parameters might be adjusted to a particular system of interest. This work ...

Maintainers: Genís Bayarri, Adam Hospital

Number of items: 17

Tags: Bioinformatics, BioBB

Selection of BioExcel Building Blocks (BioBB) Workflows intended for tutorials and training.

Maintainers: Stian Soiland-Reyes

Number of items: 14

Tags: molecular dynamics

Powered by
Copyright © 2008 - 2024 The University of Manchester and HITS gGmbH