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  • BioSimSpace – filling the gaps between molecular simulation codes

    27 June 2018

    BioSimSpace – filling the gaps between molecular simulation codes https://tess.elixir-europe.org/events/biosimspace-filling-the-gaps-between-molecular-simulation-codes [BioSimSpace](https://biosimspace.org) is a flagship software project from the [CCP-BioSim](https://ccpbiosim.ac.uk) and [HEC-BioSim](https://hecbiosim.ac.uk) biomolecular modelling communities. The project aims to make it easier for researchers to develop, share and re-use biomolecular simulation workflow nodes. The software problem in our community is that we have lots of different pieces of software that are all incompatible and are not interoperable. This forces the community to hand-write small scripts for converting between different file formats, or to generate different software input files. The resulting scripts are specific for the software and task performed, leading to the community generating lots of bespoke and brittle workflows. BioSimSpace solves this problem by providing an **interoperability layer** between the major molecular simulation packages. In effect, BioSimSpace provides the shims that fill in the gaps between codes. BioSimSpace Python scripts can be run from the command line, used as workflow nodes in packages such as Knime, or run on the cloud as Jupyter notebooks. In this talk, we will show how BioSimSpace has been implemented, will talk about its capabilities and our future plans, and will demonstrate some BioSimSpace workflow nodes running on the cloud. 2018-06-27 15:00:00 UTC 2018-06-27 16:00:00 UTC BioExcel Molecular modelling Molecular dynamics Workflows University of Manchester [] IntermediateBeginners [] [] GROMACSPythonKNIMEJupyter notebook
  • Genome assembly and annotation course 4

    24 - 28 September 2018

    Montferrier-sur-Lez (Montpellier area), France

    Elixir node event
    Genome assembly and annotation course 4 https://tess.elixir-europe.org/events/genome-assembly-and-annotation-course-4 ELIXIR Genome assembly and annotation course 4, Sept 24-28 2018 at the CIRAD, Montpellier, France 2018-09-24 09:00:00 UTC 2018-09-28 17:00:00 UTC ELIXIR-BE, ELIXIR-FR, ELIXIR-NO, ELIXIR-PT, ELIXIR-SE, ELIXIR-SI Cirad, 389, Avenue Agropolis, Montferrier-sur-Lez (Montpellier area), France Cirad, 389, Avenue Agropolis Montferrier-sur-Lez (Montpellier area) Hérault France Genomics CIRAD elixir@mf.uni-lj.si [] life scientistsResearchersPhD students 25 [] registration_of_interest Genomics AssemblyTrainingeLearningEeLP
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