Skip to content
View mkatouda's full-sized avatar
4 followers · 25 following
Block or Report

Block or report mkatouda

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse

Pinned

  1. placingmd placingmd Public

    Protein-Ligand Attached Complex Input Generator for Molecular Dynamics

    Jupyter Notebook

  2. meekovina meekovina Public

    python script easy to use Autodock Vina basic docking simulation

    Jupyter Notebook

  3. stage3 stage3 Public

    Automatic GROMACS Topology Generation tool of organic molecules using the GAFF and CGenFF force fields

    Jupyter Notebook 2 1

  4. pdbqtprep pdbqtprep Public

    Integrated program of PDBFixer and AutoDockTools to prepare protein model of molecular dynamics simulation and AutoDock Vina docking simulation.

    Python

  5. gromacs_amber14sb_bugfix gromacs_amber14sb_bugfix Public

    Bugfix of amber14sb force field of gromacs

    Makefile

  6. qclsample qclsample Public

    Sample codes of quantum machine learning

    Jupyter Notebook