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    • Global repository for all the BioExcel Building Blocks Workflows
      Common Workflow Language
      2400Updated Jan 23, 2025Jan 23, 2025
    • Python
      Apache License 2.0
      15122Updated Jan 23, 2025Jan 23, 2025
    • biobb_pmx

      Public
      Biobb_pmx is the Biobb module collection to perform PMX (http://pmx.mpibpc.mpg.de) executions.
      Python
      Apache License 2.0
      0220Updated Jan 23, 2025Jan 23, 2025
    • Biobb_chemistry is the Biobb module collection to perform chemistry over molecular dynamics simulations.
      Python
      Apache License 2.0
      2500Updated Jan 22, 2025Jan 22, 2025
    • Biobb_common is the base package required to use the biobb packages.
      Python
      Apache License 2.0
      1030Updated Jan 22, 2025Jan 22, 2025
    • 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
      4500Updated Jan 22, 2025Jan 22, 2025
    • 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 BioExcel Building Blocks library (biobb).
      HTML
      Apache License 2.0
      0000Updated Jan 22, 2025Jan 22, 2025
    • 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 Building Blocks library (biobb).
      HTML
      Apache License 2.0
      6500Updated Jan 22, 2025Jan 22, 2025
    • 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
      1200Updated Jan 22, 2025Jan 22, 2025
    • 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 (biobb).
      HTML
      Apache License 2.0
      4400Updated Jan 22, 2025Jan 22, 2025
    • 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
      2101Updated Jan 22, 2025Jan 22, 2025
    • This tutorial aims to illustrate the process of computing a conformational transition between two known structural conformations of a protein, step by step, using the BioExcel Building Blocks library (biobb).
      HTML
      Apache License 2.0
      1000Updated Jan 22, 2025Jan 22, 2025
    • This tutorial aims to illustrate the process of generating protein conformational ensembles from 3D structures and analysing its molecular flexibility, step by step, using the BioExcel Building Blocks library (biobb).
      HTML
      Apache License 2.0
      1000Updated Jan 22, 2025Jan 22, 2025
    • This tutorial aims to illustrate the process of generating protein conformational ensembles from 3D structures and analysing its molecular flexibility, step by step, using the BioExcel Building Blocks library (biobb).
      HTML
      Apache License 2.0
      0100Updated Jan 22, 2025Jan 22, 2025
    • This tutorial aims to illustrate the process of extracting structural and dynamical properties from a DNA MD trajectory helical parameters, step by step, using the BioExcel Building Blocks library (biobb).
      HTML
      Apache License 2.0
      1100Updated Jan 22, 2025Jan 22, 2025
    • This tutorial aims to illustrate the process of computing classical molecular interaction potentials from protein structures, step by step, using the BioExcel Building Blocks library (biobb).
      HTML
      Apache License 2.0
      0000Updated Jan 22, 2025Jan 22, 2025
    • biobb_haddock is the Biobb module collection to compute information-driven flexible protein-protein docking.
      Python
      Apache License 2.0
      0000Updated Jan 22, 2025Jan 22, 2025
    • biobb_mem

      Public
      Python
      Apache License 2.0
      0020Updated Jan 22, 2025Jan 22, 2025
    • biobb_vs

      Public
      Biobb_vs is the Biobb module collection to perform virtual screening studies.
      Python
      Apache License 2.0
      2100Updated Jan 22, 2025Jan 22, 2025
    • Python
      Apache License 2.0
      0000Updated Jan 22, 2025Jan 22, 2025
    • Biobb_structure_utils is the Biobb module collection to modify or extract information from a PDB structure file, such as pulling out a particular model or chain, removing water molecules or ligands, or renumbering or sorting atoms or residues.
      Python
      Apache License 2.0
      3210Updated Jan 21, 2025Jan 21, 2025
    • Biobb_pytorch is the Biobb module collection to create and train ML & DL models using the popular PyTorch Python library.
      Python
      Apache License 2.0
      0100Updated Jan 21, 2025Jan 21, 2025
    • Biobb_model is the Biobb module collection to check and model 3d structures, create mutations or reconstruct missing atoms.
      Python
      Apache License 2.0
      1120Updated Jan 21, 2025Jan 21, 2025
    • 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
      0200Updated Jan 21, 2025Jan 21, 2025
    • biobb_godmd is a BioBB category for the GOdMD tool
      Python
      Apache License 2.0
      0000Updated Jan 21, 2025Jan 21, 2025
    • Biobb_flexserv is a BioBB category for biomolecular flexibility studies on protein 3D structures.
      Python
      Apache License 2.0
      0100Updated Jan 21, 2025Jan 21, 2025
    • biobb_flexdyn is a BioBB category for studies on the conformational landscape of native proteins.
      Python
      Apache License 2.0
      0100Updated Jan 21, 2025Jan 21, 2025
    • biobb_dna

      Public
      Biobb_dna is the Biobb module collection to perform analyses and transformations on nucleic acid trajectories and helical parameter data.
      Python
      Apache License 2.0
      0000Updated Jan 21, 2025Jan 21, 2025
    • Python
      Apache License 2.0
      1100Updated Jan 21, 2025Jan 21, 2025
    • 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 (biobb) wrapping the Ambertools MD package.
      HTML
      Apache License 2.0
      3100Updated Jan 21, 2025Jan 21, 2025