bioexcel Goto Github PK
Name: BioExcel
Type: Organization
Bio: Center of Excellence for Computational Biomolecular Research
Blog: https://bioexcel.eu/
Name: BioExcel
Type: Organization
Bio: Center of Excellence for Computational Biomolecular Research
Blog: https://bioexcel.eu/
Course materials for "Practical Introduction to QM/MM using CP2K for biomolecular modelling" (https://www.archer2.ac.uk/training/courses/201013-cp2k)
Repository for April 2021 training course in QM/MM simulation with GROMACS+CP2K
GROMACS introduction tutorial for FEBS workshop
Deploy various implementations of CWL
Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over popular bioinformatics tools.
Example Template for BioBB
Biobb_adapters is the Biobb module collection to use the building blocks with several workflow managers.
Biobb_amber is a BioBB category for AMBER MD package.
Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.
Biobb_chemistry is the Biobb module collection to perform chemistry over molecular dynamics simulations.
Biobb_common is the base package required to use the biobb packages.
Repository for all the community BioExcel Building Blocks Workflows
Biobb_dna is the Biobb module collection to perform analyses and transformations on nucleic acid trajectories and helical parameter data.
Documentation for the creation of a new BioExcel building block from scratch.
biobb_flexdyn is a BioBB category for studies on the conformational landscape of native proteins.
Biobb_flexserv is a BioBB category for biomolecular flexibility studies on protein 3D structures.
biobb_godmd is a BioBB category for the GOdMD tool
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