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

Category: Macinchem Blog

The blog for the website

  • Home
  • Blog
  • Macinchem Blog
Macinchem Blog

Updated Mac mini and Mac Studio

26 August 202626 August 2026 chris

Apple have announced new Mac mini and Mac Studio machines. Mac mini has either M5 Pro chip or M6 chip M5 Pro M6 Mac Studio

Read More
Hints and Tutorials Macinchem Blog Other Tips Science Apps

Installing the OpenADMET PXR anvil prediction

25 August 202625 August 2026 chris

I had a couple of issues installing the PXR model from OpenAMET on my Apple Silicon Mac (https://huggingface.co/openadmet/pxr-chemeleon-baseline) so I thought I’d post what I

Read More
Hints and Tutorials Macinchem Blog Science Apps

mlxmolkit updated

25 August 202625 August 2026 chris

mlxmolkit is a GPU-accelerated molecular toolkit on Apple Silicon, it is a port of nvMolKit that uses Cuda. There are now three pipelines Full details

Read More
Macinchem Blog meetings

Some conferences and meetings that might be of interest.

23 August 202623 August 2026 chris

9th Artificial Intelligence in Chemistry Symposium (https://www.rscbmcs.org/events/aichem9/) Wednesday 2nd – Friday 4th September 2026, Churchill College Cambridge, UK. in person registration is closed but online

Read More
Macinchem Blog

Next generation artificial intelligence (AI): explainable AI

11 August 202611 August 2026 chris

Apply for funding for projects focused on speculative and high-risk fundamental research with the potential to deliver high reward and a step change in the

Read More
Macinchem Blog

OpenADMET PXR challenge PyMOL session file

7 August 20267 August 2026 chris

The ability to predict ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties is critical to accelerating new medicine discovery. In an effort to improve predictive

Read More
Macinchem Blog Other Tips

Quick Look Doctor

30 July 202630 July 2026 chris

In the review of Burette a Quick Look extension for chemical filetypes I wrote:- There are issues with this system, the same file type e.g.

Read More
Macinchem Blog Science Apps

Raymol, Molecular visualisation for Mac, Ipad, iPhone

30 July 202630 July 2026 chris

One of the advantages of Apple Silicon is we are starting to see applications that take advantage of the new hardware. Raymol is a free

Read More
Macinchem Blog Science Apps

ProLIF updated

29 July 202629 July 2026 chris

ProLIF (Protein-Ligand Interaction Fingerprints) is a tool designed to generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA molecules extracted from molecular

Read More
Hints and Tutorials Macinchem Blog Software Reviews

Review of Burette

28 July 202630 July 2026 chris

How often have you found a structure file on your desktop and wondered what it contained? You could open it in the relevant software application

Read More

Posts pagination

1 2 … 34 Next

  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    Updated Mac mini and Mac Studio

    Apple have announced new Mac mini and Mac Studio machines. Mac mini has either M5 Pro chip or M6 chip M5 Pro 15‑core CPU with 5 super cores and 10 performance...

    https://macinchem.org/2026/08/26/updated-mac-mini-and-mac-studio/
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    Installing the OpenADMET PXR anvil prediction

    I had a couple of issues installing the PXR model from OpenAMET on my Apple Silicon Mac (https://huggingface.co/openadmet/pxr-chemeleon-baseline) so I thought I'd...

    https://macinchem.org/2026/08/25/installing-the-openadmet-pxr-anvil-prediction/
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    mlxmolkit updated

    mlxmolkit is a GPU-accelerated molecular toolkit on Apple Silicon, it is a port of nvMolKit that uses Cuda. There are now three pipelines Molecular Clustering — Morgan FP → Tanimoto...

    https://macinchem.org/2026/08/25/mlxmolkit-updated/
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    Some conferences and meetings that might be of interest.

    9th Artificial Intelligence in Chemistry Symposium (https://www.rscbmcs.org/events/aichem9/) Wednesday 2nd – Friday 4th September 2026,...

    https://macinchem.org/2026/08/23/some-conferences-and-meetings-that-might-be-of-interest/
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    Is anyone else picking blackberries, seems to be a very good year.

Recent Posts

  • Updated Mac mini and Mac Studio
  • Installing the OpenADMET PXR anvil prediction
  • mlxmolkit updated
  • Some conferences and meetings that might be of interest.
  • Next generation artificial intelligence (AI): explainable AI
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

@macinchem.bsky.social

654 Followers 234 Following 241 Posts

Archives

  • August 2026
  • July 2026
  • June 2026
  • May 2026
  • April 2026
  • March 2026
  • 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
  • Updated Mac mini and Mac Studio
  • Installing the OpenADMET PXR anvil prediction
  • mlxmolkit updated
  • Some conferences and meetings that might be of interest.
  • Next generation artificial intelligence (AI): explainable AI
All Rights Reserved 2026.
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.