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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

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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.

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Hints and Tutorials Macinchem Blog Other Tips

MOE update and window management

10 June 202610 June 2026 chris

For a long time the computational chemistry and molecular modelling package MOE from Chemical Computing Group has required XQuartz to provide the windowing environment. With

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Macinchem Blog Other Tips Science Apps

RDKit Updated

28 March 202628 March 2026 chris

An update to RDKit has been released 2026_03_1 (Q1 2026). Highlights Note there are a number of backwards incompatible changes. Full details of the release

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Macinchem Blog Other Tips

Running Qwen3.5-397B on a M3 MacBook Pro

22 March 202622 March 2026 chris

A while back Apple published a paper entitled LLM in a flash: Efficient Large Language Model Inference with Limited Memory [DOI] This paper tackles the

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Macinchem Blog Other Tips Science Apps

OpenFold3-preview

15 March 202615 March 2026 chris

OpenFold3-preview is a biomolecular structure prediction model aiming to be a bitwise reproduction of DeepMind’sAlphaFold3, developed by the AlQuraishi Lab at Columbia University and the

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Macinchem Blog Other Tips

Powerbeats Pro one side not working fix

4 March 20264 March 2026 chris

A rather different post. I’m the owner of a pair of Powerbeats Pro that I’ve used while exercising for a couple of years. Recently the

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Macinchem Blog Other Tips Science Apps

Cheminformatics Microservice V3: a web portal for chemical structure manipulation and analysis

5 February 20265 February 2026 chris

There is an interesting paper in Journal of Cheminformatics  J Cheminform 17, 142 (2025). https://doi.org/10.1186/s13321-025-01094-1 Cheminformatics Microservice V3 aims to provide easily accessible and reproducible cheminformatics tools.

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Macinchem Blog Other Tips

Xcode 26.3 unlocks the power of agentic coding

4 February 20264 February 2026 chris

Agents are all the rage in AI/ML at the moment so it is no surprise that Apple have updated Xcode. Developers can leverage coding agents,

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Hints and Tutorials Macinchem Blog Other Tips

Update an Expired Certificate Error on HP Printer using a Mac

5 January 202616 January 2026 chris

This morning I tried to print something to my HP LaserJet Pro printer and got an error. A quick search of the HP website suggested

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Posts pagination

1 2 … 5 Next

  • View post by on Bluesky

    @macinchem.bsky.social 8 hours

    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 12 hours

    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 2 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 2 days

    Is anyone else picking blackberries, seems to be a very good year.
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Next generation artificial intelligence (AI): explainable AI

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

    https://macinchem.org/2026/08/11/next-generation-artificial-intelligence-ai-explainable-ai/

Recent Posts

  • Installing the OpenADMET PXR anvil prediction
  • mlxmolkit updated
  • Some conferences and meetings that might be of interest.
  • Next generation artificial intelligence (AI): explainable AI
  • OpenADMET PXR challenge PyMOL session file
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Also now on Bluesky @macinchem.bsky.social

@macinchem.bsky.social

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