Cheminformatics

Posts tagged 'Cheminformatics'

2024

  1. Fixing ADFRSuite for Apple Silicon

    Fixing ADFRsuite on M1/MX chip Macs - CLI Tools

2021

  1. Cheminformatics on the Web (2021)

    Summarising Cheminformatics on the web in 2021.

2020

  1. Installing RDKit on Google Colab

    Install RDKit on Google Colab with one code snippet.

  2. Compiling AutoDock Vina on iOS

    Compiling AutoDock Vina on iOS

  3. Workflow for Lightning Fast Molecular Docking Part One

    This is my workflow for lightning fast molecular docking.

  4. Compiling Open Babel on iOS

    Compiling Open Babel on iOS

  5. Fixing X11 Error on macOS Catalina for AmberTools 18/19

    Fixing Could not find the X11 libraries; you may need to edit config.h, AmberTools macOS Catalina