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    127 repositories

    • biobb_structure_checking

      Public
      Python
      •
      Apache License 2.0
      •2•13•3•1•Updated Oct 13, 2026Oct 13, 2026

    • biobb_common

      Public
      Biobb_common is the base package required to use the biobb packages.
      Python
      •
      Apache License 2.0
      •1•0•1•0•Updated Oct 9, 2026Oct 9, 2026

    • biobb_workflows

      Public
      Global repository for all the BioExcel Building Blocks Workflows
      Common Workflow Language
      •4•9•0•0•Updated Oct 8, 2026Oct 8, 2026

    • biobb_cmip

      Public
      Python
      •
      Apache License 2.0
      •0•0•0•0•Updated Oct 6, 2026Oct 6, 2026

    • biobb_amber

      Public
      Biobb_amber is a BioBB category for AMBER MD package.
      Python
      •
      Apache License 2.0
      •4•15•2•0•Updated Oct 6, 2026Oct 6, 2026

    • biobb_godmd

      Public
      biobb_godmd is a BioBB category for the GOdMD tool
      Python
      •
      Apache License 2.0
      •0•0•1•0•Updated Oct 2, 2026Oct 2, 2026

    • biobb_wf_flexdyn

      Public
      This tutorial aims to illustrate the process of generating protein conformational ensembles from 3D structures and analysing its molecular flexibility, step by …
      HTML
      •
      Apache License 2.0
      •0•2•0•0•Updated Sep 30, 2026Sep 30, 2026

    • biobb_wf_flexserv

      Public
      This tutorial aims to illustrate the process of generating protein conformational ensembles from 3D structures and analysing its molecular flexibility, step by …
      HTML
      •
      Apache License 2.0
      •1•3•0•0•Updated Sep 30, 2026Sep 30, 2026

    • biobb_wf_virtual-screening

      Public
      This tutorials aim to illustrate the process of protein-ligand docking, step by step, using the BioExcel Building Blocks library (biobb).
      HTML
      •
      Apache License 2.0
      •5•7•0•0•Updated Sep 30, 2026Sep 30, 2026

    • biobb_wf_structure_checking

      Public
      This tutorial aims to illustrate the process of checking a molecular structure before using it as an input for a Molecular Dynamics simulation using the BioExce…
      HTML
      •
      Apache License 2.0
      •0•0•0•0•Updated Sep 30, 2026Sep 30, 2026

    • biobb_wf_protein-complex_md_setup

      Public
      This tutorial aims to illustrate the process of setting up a simulation system containing a protein in complex with a ligand, step by step, using the BioExcel B…
      HTML
      •
      Apache License 2.0
      •6•11•0•0•Updated Sep 29, 2026Sep 29, 2026

    • biobb_wf_pmx_tutorial

      Public
      This tutorial aims to illustrate how to compute a fast-growth mutation free energy calculation, step by step, using the BioExcel Building Blocks library (biobb)…
      HTML
      •
      Apache License 2.0
      •1•5•0•0•Updated Sep 29, 2026Sep 29, 2026

    • biobb_wf_mem

      Public
      This tutorial aims to illustrate the process of analyzing a membrane molecular dynamics (MD) simulation using the BioExcel Building Blocks library (biobb).
      Jupyter Notebook
      •
      Apache License 2.0
      •0•1•0•0•Updated Sep 29, 2026Sep 29, 2026

    • biobb_wf_godmd

      Public
      This tutorial aims to illustrate the process of computing a conformational transition between two known structural conformations of a protein, step by step, usi…
      HTML
      •
      Apache License 2.0
      •1•0•0•0•Updated Sep 29, 2026Sep 29, 2026

    • biobb_wf_dna_helparms

      Public
      This tutorial aims to illustrate the process of extracting structural and dynamical properties from a DNA MD trajectory helical parameters, step by step, using …
      HTML
      •
      Apache License 2.0
      •1•1•0•0•Updated Sep 29, 2026Sep 29, 2026

    • biobb_flexserv

      Public
      Biobb_flexserv is a BioBB category for biomolecular flexibility studies on protein 3D structures.
      Python
      •
      Apache License 2.0
      •0•1•0•0•Updated Sep 29, 2026Sep 29, 2026

    • biobb_wf_cmip

      Public
      This tutorial aims to illustrate the process of computing classical molecular interaction potentials from protein structures, step by step, using the BioExcel B…
      HTML
      •
      Apache License 2.0
      •0•1•0•0•Updated Sep 28, 2026Sep 28, 2026

    • biobb_wf_autoencoder

      Public
      Jupyter Notebook
      •
      Apache License 2.0
      •1•0•0•1•Updated Sep 28, 2026Sep 28, 2026

    • biobb_wf_amber

      Public
      This tutorials aim to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (b…
      HTML
      •
      Apache License 2.0
      •3•1•0•0•Updated Sep 28, 2026Sep 28, 2026

    • biobb_wf_haddock

      Public
      This tutorials aim to illustrate the process of protein-protein docking, step by step, using HADDOCK with the BioExcel Building Blocks library (biobb).
      Jupyter Notebook
      •
      Apache License 2.0
      •1•3•1•0•Updated Sep 25, 2026Sep 25, 2026

    • biobb_wf_md_setup

      Public
      This tutorial aims to illustrate the process of setting up a simulation system containing a protein, step by step, using the BioExcel Building Blocks library (b…
      HTML
      •
      Apache License 2.0
      •4•4•0•0•Updated Sep 23, 2026Sep 23, 2026

    • biobb_wf_ligand_parameterization

      Public
      This tutorial aims to illustrate the process of ligand parameterization for a small molecule, step by step, using the BioExcel Building Blocks library (biobb).
      HTML
      •
      Apache License 2.0
      •2•2•0•1•Updated Sep 22, 2026Sep 22, 2026

    • biobb_gromacs

      Public
      Python
      •
      Apache License 2.0
      •3•7•12•0•Updated Sep 21, 2026Sep 21, 2026

    • biobb_model

      Public
      Biobb_model is the Biobb module collection to check and model 3d structures, create mutations or reconstruct missing atoms.
      Python
      •
      Apache License 2.0
      •1•1•2•0•Updated Sep 18, 2026Sep 18, 2026

    • biobb_pdb_tools

      Public
      Python
      •
      Apache License 2.0
      •0•0•1•0•Updated Sep 14, 2026Sep 14, 2026

    • biobb_io

      Public
      Biobb_io is the Biobb module collection to fetch data to be consumed by the rest of the Biobb building blocks.
      Python
      •
      Apache License 2.0
      •0•2•0•0•Updated Sep 14, 2026Sep 14, 2026

    • biobb_haddock

      Public
      biobb_haddock is the Biobb module collection to compute information-driven flexible protein-protein docking.
      Python
      •
      Apache License 2.0
      •0•2•2•0•Updated Aug 12, 2026Aug 12, 2026

    • utils_biobb

      Public
      Python
      •
      Apache License 2.0
      •1•0•0•0•Updated Aug 10, 2026Aug 10, 2026

    • biobb_analysis

      Public
      Biobb_analysis is the Biobb module collection to perform analysis of molecular dynamics simulations.
      Python
      •
      Apache License 2.0
      •3•4•1•0•Updated Aug 7, 2026Aug 7, 2026

    • biobb_vs

      Public
      Biobb_vs is the Biobb module collection to perform virtual screening studies.
      Python
      •
      Apache License 2.0
      •3•2•0•0•Updated Aug 3, 2026Aug 3, 2026
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