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

Tag: artificial intelligence

  • Home
  • Blog
  • artificial intelligence
  • Page 3
Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps

TabPFN-2.5

10 November 202510 November 2025 chris

I’ve reviewed TabPFN in the past. https://macinchem.org/2025/02/06/looking-at-tabpfn and I noticed there was a recent update. TabPFN is a foundation model  trained on around 130,000,000 synthetically generated

Read More
Data Analysis Tools Macinchem Blog

Isambard-AI and Dawn AIRR supercomputers: Innovator route

6 November 20256 November 2025 chris

Isambard-AI and Dawn AIRR supercomputers: Innovator route Apply for up to 150,000 graphics processing unit hours on the Isambard-AI and Dawn supercomputers for artificial intelligence

Read More
Hints and Tutorials Macinchem Blog

Use the Foundation Models framework to access the on-device LLM that powers Apple Intelligence.

8 October 2025 chris
Read More
Macinchem Blog

OpenADMET Challenge

5 October 20255 October 2025 chris

OpenADMET have just announced the ExpansionRx-OpenADMET blind challenge in partnership with Expansion Therapeutics. Expansion Therapeutics have decided to make all the ADMET publicly available. “We

Read More
Hints and Tutorials Jupyter Notebook Macinchem Blog

SimpleFold: Folding Proteins is Simpler than You Think

24 September 202524 September 2025 chris

Apple just posted preprint on arxiv describing a new protein structure prediction tool SimpleFold https://arxiv.org/pdf/2509.18480. All code is available on GitHub https://github.com/apple/ml-simplefold including a simple

Read More
Macinchem Blog meetings

AI meetings in Cambridge

18 August 2025 chris

Two free meetings at the start of September. Full details here https://www.c-inf.net and on the 4th September The first event of Michaelmas term with two

Read More
Macinchem Blog meetings

8th Artificial Intelligence in Chemistry Conference

21 February 202525 March 2025 chris

Abstract submission is now open for the 8th RSC-CICAG/BMCS Artificial Intelligence in Chemistry Meeting. Details of the meeting are here https://www.rscbmcs.org/events/aichem8/ You can submit abstracts

Read More
Data Analysis Tools Hints and Tutorials Jupyter Notebook Macinchem Blog Software Reviews

Looking at TabPFN

6 February 202517 February 2025 chris

TabPFN is a foundation model  trained on around 130,000,000 synthetically generated datasets that mimic “real world” tabular data. These datasets sampled dataset size and number

Read More
Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps Software Reviews

TabPFN on Apple Silicon

31 January 202531 January 2025 chris

A recent paper published in Nature caught my eye, Accurate predictions on small data with a tabular foundation model by Hollmann et al., Here we present

Read More
Hints and Tutorials Jupyter Notebook Macinchem Blog

Structure-aware generative molecular design: from 2D or 3D?

20 January 202520 January 2025 chris

A very nice review of generative models for molecular design from Morgan Thomas. https://cheminformantics.blogspot.com/2024/12/structure-aware-generative-molecular.html Includes Jupyter notebooks for data and analysis.

Read More

Posts pagination

Previous 1 2 3 4 5 Next

  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    Looks interesting www.ukri.org/news/ukri-la...
  • View post by on Bluesky

    @macinchem.bsky.social 7 days

    ChemDoodle 2D v12.11 Update Available

    Version 12.11.0 is a feature update for ChemDoodle 2D. Major features include a function to generate text descriptions of figures, a fully native file chooser, improved MRV file...

    https://macinchem.org/2026/06/19/chemdoodle-2d-v12-11-update-available/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    molar_vis — a modern molecular viewer in pure Rust

    There are a number of molecular visualisation tools available (many are now showing their age), but this looks an interesting addition A...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    UCSF ChimeraX version 1.12 has been released

    The latest upsdate of the popular Biomolecular visualisation tool ChimeraX has been releasded https://www.rbvi.ucsf.edu/chimerax/download.html This update includes -...

    https://macinchem.org/2026/06/14/ucsf-chimerax-version-1-12-has-been-released/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    PyChem-Pro

    I just stumbled across this when looking for something else. It looks very interesting A pure-Python desktop application and library for chemistry and cheminformatics — molecular visualization, SMILES parsing,...

    https://macinchem.org/2026/06/11/pychem-pro-2/

Recent Posts

  • ChemDoodle 2D v12.11 Update Available
  • molar_vis — a modern molecular viewer in pure Rust
  • UCSF ChimeraX version 1.12 has been released
  • PyChem-Pro
  • MOE update and window management
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

@macinchem.bsky.social

650 Followers 233 Following 222 Posts

Archives

  • 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
  • ChemDoodle 2D v12.11 Update Available
  • molar_vis — a modern molecular viewer in pure Rust
  • UCSF ChimeraX version 1.12 has been released
  • PyChem-Pro
  • MOE update and window management
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.