Launch BioExcel Building Blocks
- Home
- Availability
- Launch
BioExcel Building Blocks workflows are integrated in a website where they can be launched, visualize output analyses, download output files, get preparation files for launching in HPC and so on.
BioExcel Building Blocks modules are integrated in a REST API server where they can be launched programmatically.
Launch on Google Colab
All the BioExcel Building Blocks workflow notebooks are available in Google Colab. Colab, or "Colaboratory", allows you to write and execute Python in your browser, with: zero configuration required, access to GPUs free of charge and easy sharing.
- Protein MD Setup tutorial using BioExcel Building Blocks
- Automatic Ligand parameterization tutorial using BioExcel Building Blocks
- Protein Ligand Complex MD Setup tutorial using BioExcel Building Blocks
- Mutation Free Energy Calculations using BioExcel Building Blocks
- Protein-ligand Docking tutorial using BioExcel Building Blocks (PDB Cluster90 Binding Site Version)
- Protein-ligand Docking tutorial using BioExcel Building Blocks (PDBe REST-API Version)
- Protein-ligand Docking tutorial using BioExcel Building Blocks (Fpocket Version)
- Molecular Interaction Potentials
- Protein conformational ensembles generation
- Macromolecular Coarse-Grained Flexibility (FlexServ) tutorial
- Protein conformational transitions calculations
- AMBER Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
- AMBER Protein-ligand complex MD Setup tutorial using BioExcel Building Blocks (biobb)
- AMBER Constant pH MD setup tutorial using BioExcel Building Blocks (biobb)
- ABC MD Setup pipeline using BioExcel Building Blocks (biobb)
- Structural DNA helical parameters from MD trajectory tutorial using BioExcel Building Blocks (biobb)
- Molecular Structure Checking tutorial
- AutoEncoders for Anomaly Detection tutorial
- Protein-Membrane MD analysis tutorial
- Protein-protein Docking tutorial using HADDOCK
All the BioExcel Building Blocks workflow notebooks are available in MyBinder. With Binder, you can open any notebook from a repo in an executable environment, making your code immediately reproducible by anyone, anywhere..
- Protein MD Setup tutorial using BioExcel Building Blocks
- Automatic Ligand parameterization tutorial using BioExcel Building Blocks
- Protein Ligand Complex MD Setup tutorial using BioExcel Building Blocks
- Mutation Free Energy Calculations using BioExcel Building Blocks
- Protein-ligand Docking tutorial using BioExcel Building Blocks (PDB Cluster90 Binding Site Version)
- Protein-ligand Docking tutorial using BioExcel Building Blocks (PDBe REST-API Version)
- Protein-ligand Docking tutorial using BioExcel Building Blocks (Fpocket Version)
- Molecular Interaction Potentials
- Protein conformational ensembles generation
- Macromolecular Coarse-Grained Flexibility (FlexServ) tutorial
- Protein conformational transitions calculations
- AMBER Protein MD Setup tutorial using BioExcel Building Blocks (biobb)
- AMBER Protein-ligand complex MD Setup tutorial using BioExcel Building Blocks (biobb)
- AMBER Constant pH MD setup tutorial using BioExcel Building Blocks (biobb)
- ABC MD Setup pipeline using BioExcel Building Blocks (biobb)
- Structural DNA helical parameters from MD trajectory tutorial using BioExcel Building Blocks (biobb)
- Molecular Structure Checking tutorial
- AutoEncoders for Anomaly Detection tutorial
- Protein-Membrane MD analysis tutorial
- Protein-protein Docking tutorial using HADDOCK