Webinar: Using interactive Jupyter Notebooks and BioConda for FAIR and reproducible biomolecular simulation workflows
Date: 28 May 2024 @ 15:00 - 16:00
Timezone: Stockholm
Duration: 1 hour
This webinar will present a collection of FAIR (Findable, Accessible, Interoperable and Reusable/Reproducible) principles based Jupyter notebooks built using the BioExcel Building Blocks library. These notebooks cover various areas of the biomolecular simulation field, such as Molecular Dynamics (MD), protein-ligand docking, molecular checking/modeling, molecular interactions and free energy perturbations. Workflows can be launched with myBinder or easily installed in a local system, and the current collection is available here.
Keywords: BioBB, Jupyter notebook, conda, biomolecular simulations, FAIR Research
City: Barcelona
Country: Spain
Learning objectives:
Understanding the use of BioExcel Building Blocks library for carrying out different tasks in the biomolecular simulation field, such as Molecular Dynamics (MD), protein-ligand docking, molecular checking/modeling, molecular interactions and free energy perturbations
Organizer: BioExcel
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