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Month: August 2026

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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

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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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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

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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

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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

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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

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    @macinchem.bsky.social 3 hours

    VIBE-QC: an open-source, general-purpose electronic-structure code

    Another example of vibe-coded chemistry software. We present VIBE-QC, a general-purpose open-source electronic-structure code...

    https://macinchem.org/2026/11/10/vibe-qc-an-open-source-general-purpose-electronic-structure-code/
  • View post by on Bluesky

    @macinchem.bsky.social 23 hours

    ChemDoodle 3D updated

    iChemLabs have just announced a version 8 of ChemDoodle 3D software. This update is free for all ChemDoodle subscriptions, Lifetime and Site licenses. Licenses are as little as $29,...

    https://macinchem.org/2026/11/09/chemdoodle-3d-updated/
  • View post by on Bluesky

    @macinchem.bsky.social 1 day

    More on web browser extensions

    I recently published two Compound Lookup extensions for Safari and Chrome both of which have been downloaded over 100 times. They allow you so select a drug name in...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Cambridge Cheminformatics Network meeting

    The next Cambridge Cheminformatics Network Meeting is 11 November 2026, 4pm UK time at Cambridge Crystallographic Data Centre, Cambridge, UK and Online (Hybrid...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    ChemDraft and open-source chemical drawing package

    A reader recently highlighted ChemDraft (https://chemdraft.ai). A lightweight, open-source (Apache-2.0) chemical drawing app for macOS and Windows. It is...

Recent Posts

  • VIBE-QC: an open-source, general-purpose electronic-structure code
  • ChemDoodle 3D updated
  • More on web browser extensions
  • Cambridge Cheminformatics Network meeting
  • ChemDraft an open-source chemical drawing package
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