Skip to content

Macs in Chemistry

A site for chemists using Macs in Chemistry

  • Home
  • Blog
  • Hints and Tutorials
    • Hints and Tutorials
      • Applescript
      • Other Tips
      • Jupyter Notebook
      • Vortex Scripts
  • iBabel
  • Science Apps
  • Reviews
    • Reviews
    • Apple Silicon
    • Software Reviews
      • Reviews
      • Data Analysis Tools
        • Open Source Python Data Science Libraries
      • Spectroscopy
      • Open Source Cheminformatics Toolkits
  • Fortran on a Mac
    • Fortran on a Mac
    • News items

Month: July 2025

  • Home
  • 2025
  • July
Data Analysis Tools Hints and Tutorials Macinchem Blog Vortex Scripts

Selecting random clusters from a large dataset in Vortex

18 July 2025 chris

When making selections from large datasets it is worth mentioning that as datasets get larger a simple random selection is often the best (and quickest)

Read More
Applescript Hints and Tutorials Macinchem Blog

Using ChemDraw as input for Boltz docking

11 July 202511 July 2025 chris

A recent paper described Boltz-1: Democratizing Biomolecular Interaction Modeling https://www.biorxiv.org/content/10.1101/2024.11.19.624167v2 Boltz-1, an open-source deep learning model incorporating innovations in model architecture, speed optimization, and data processing

Read More
Macinchem Blog

CCL closure

10 July 202510 July 2025 chris

Just got this email  On Tue, Jul 8, 2025, 10:13 PM Jan Labanowski jasienku|a|gmail.com <owner-chemistry..ccl.net> wrote: Dear CCL Subscribers, CCL Closure With some melancholic feelings I need

Read More

Recent Posts

  • CNotebook integrating OpenEye toolkits into Jupyter
  • Cambridge Cheminformatics Meeting
  • Visual Studio Code extension that renders SMILES strings
  • Software sustainability fund
  • Storing Vortex scripts outside the Vortex file system
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

Bluesky feed

  • Get to this post

    @macinchem.bsky.social 21 hours

    CNotebook integrating OpenEye toolkits into Jupyter

    CNotebook provides chemistry visualization for Jupyter Notebooks and Marimo using the OpenEye Toolkits. Import the package and your molecular data will...

    CNotebook integrating OpenEye toolkits into Jupyter

    CNotebook provides chemistry visualization for Jupyter Notebooks and Marimo using the OpenEye Toolkits. Import the package and your molecular data will automatically render as chemical structures without additional configuration. Supports...

    macinchem.org

    ❤️ 1 💬 1
  • Get to this post

    @macinchem.bsky.social 1 day

    Cambridge Cheminformatics Meeting

    The next Cambridge Cheminformatics meeting is on 18 February 2026, 4-5.30pm UK time, Hybrid (at the CCDC on Union Road, Cambridge/via Zoom) More details of the meetings can be...

    Cambridge Cheminformatics Meeting

    The next Cambridge Cheminformatics meeting is on 18 February 2026, 4-5.30pm UK time, Hybrid (at the CCDC on Union Road, Cambridge/via Zoom) More details of the meetings can be found...

    macinchem.org

    ❤️ 2 🔄 1
  • Get to this post

    @macinchem.bsky.social 5 days

    Visual Studio Code extension that renders SMILES strings

    MolView - SMILES Preview is a Visual Studio Code extension that renders SMILES (Simplified Molecular Input Line Entry System) strings as...

    Visual Studio Code extension that renders SMILES strings

    MolView - SMILES Preview is a Visual Studio Code extension that renders SMILES (Simplified Molecular Input Line Entry System) strings as molecular structure diagrams on hover. This means that you...

    macinchem.org

    ❤️ 3
  • Get to this post

    @macinchem.bsky.social 6 days

    Scientific software sustainability fund macinchem.org/2026/01/29/s...

    Software sustainability fund – Macs in Chemistry

    macinchem.org

    ❤️ 1
  • Get to this post

    @macinchem.bsky.social 7 days

    Storing Vortex scripts outside the Vortex file system. macinchem.org/2026/01/28/s...

    Storing Vortex scripts outside the Vortex file system – Macs in Chemistry

    macinchem.org

Archives

  • February 2026
  • January 2026
  • December 2025
  • November 2025
  • October 2025
  • September 2025
  • August 2025
  • July 2025
  • June 2025
  • May 2025
  • April 2025
  • March 2025
  • February 2025
  • January 2025
  • December 2024
  • November 2024
  • October 2024
  • September 2024
  • August 2024
  • July 2024
  • June 2024
  • May 2024
  • April 2024
  • March 2024
  • February 2024
  • January 2024
  • December 2023
  • November 2023
  • October 2023
  • September 2023
  • July 2023
  • June 2023
  • May 2023
  • April 2023
  • March 2023
  • February 2023

Categories

  • Applescript
  • Data Analysis Tools
  • Fortran on a Mac
  • Hints and Tutorials
  • iBabel
  • Jupyter Notebook
  • Macinchem Blog
  • meetings
  • Other Tips
  • Reviews
  • Science Apps
  • Software Reviews
  • Spectroscopy
  • Uncategorised
  • Vortex Scripts
  • CNotebook integrating OpenEye toolkits into Jupyter
  • Cambridge Cheminformatics Meeting
  • Visual Studio Code extension that renders SMILES strings
  • Software sustainability fund
  • Storing Vortex scripts outside the Vortex file system
All Rights Reserved 2024.
Proudly powered by WordPress | Theme: Fairy by Candid Themes.
We use cookies to ensure that we give you the best experience on our website. If you continue to use this site we will assume that you are happy with it.