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 5
Macinchem Blog Science Apps

RoseTTAFold All-Atom is published

8 March 20248 March 2024 chris

I suspect many people have been anticipating this, whilst AlphaFold was a great step forward in predicting protein 3D structure it did have significant limitations.

Read More
Macinchem Blog

7th Artificial Intelligence in Chemistry Conference

23 February 202423 February 2024 chris

The 7th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry conference will take place from Monday-Wednesday, 16th – 18th September 2024 at Churchill College, Cambridge, UK.

Read More
Hints and Tutorials Macinchem Blog Science Apps

Chemprop: A Machine Learning Package for Chemical Property Prediction

28 December 202329 December 2023 chris

I know a few folks have been using this, good to see this publication DOI. Chemprop implements the D-MPNN architecture and offers simple, easy, and

Read More
Macinchem Blog

Large language models on a mobile device?

24 December 202324 December 2023 chris

We are starting to see papers coming from Apple that highlight their efforts in the machine learning/artificial intelligence area. Recently we have seen MLX a

Read More
Data Analysis Tools Macinchem Blog

Installing local LLM on Apple Silicon

11 December 202311 December 2023 chris

Great video by Alex Ziskind on installing a local large language models on Apple Silicon.

Read More
Macinchem Blog

MLX a machine learning framework for Apple Silicon

8 December 20238 December 2023 chris

I just stumbled across this repository on GitHub, MLX: An array framework for Apple silicon https://github.com/ml-explore/mlx MLX is a NumPy-like array framework designed for efficient

Read More
Macinchem Blog Other Tips Science Apps

REINVENT4

7 November 20237 November 2023 chris

REINVENT is a molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design, molecule optimization, and other small molecule design tasks. At

Read More
Data Analysis Tools Hints and Tutorials Macinchem Blog

Scikit-LLM: Sklearn Meets Large Language Models

24 May 202324 May 2023 chris

I just stumbled across this and I thought I’d share it. Seamlessly integrate powerful language models like ChatGPT into scikit-learn for enhanced text analysis tasks.

Read More
Macinchem Blog Other Tips

Using GitHub Copilot within Xcode

5 May 20235 May 2023 chris

GitHub Copilot uses the OpenAI Codex to suggest code and entire functions in real-time, right from your editor. https://github.com/features/copilot Whilst I’m hoping that Apple will

Read More

Posts pagination

Previous 1 … 4 5

  • 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.