BioExcel
Popular repositories Loading
-
-
gromacs-2022-cp2k-tutorial
gromacs-2022-cp2k-tutorial PublicSample inputs and tutorial for GROMACS-2022/CP2K QMMM interface
-
cp2K_qmmm_tutorials_for_biological_simulations
cp2K_qmmm_tutorials_for_biological_simulations PublicSeveral QM/MM tutorials for biological simulations adapted to CP2K. Tutorials adapted from AMBER, GMX, NAMD and CPMD softwares.
-
-
Repositories
- 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).
bioexcel/biobb_wf_mem’s past year of commit activity - biobb_mem Public
bioexcel/biobb_mem’s past year of commit activity - 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).
bioexcel/biobb_wf_virtual-screening’s past year of commit activity - biobb_pytorch Public
Biobb_pytorch is the Biobb module collection to create and train ML & DL models using the popular PyTorch Python library.
bioexcel/biobb_pytorch’s past year of commit activity - biobb_io Public
Biobb_io is the Biobb module collection to fetch data to be consumed by the rest of the Biobb building blocks.
bioexcel/biobb_io’s past year of commit activity - biobb_cmip Public
bioexcel/biobb_cmip’s past year of commit activity - biobb_wf_autoencoder Public
bioexcel/biobb_wf_autoencoder’s past year of commit activity - 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 BioExcel Building Blocks library (biobb).
bioexcel/biobb_wf_structure_checking’s past year of commit activity
Top languages
Loading…
Most used topics
Loading…