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2024
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PyMOL 3.0 New Features

Macinchem Blog Science Apps Uncategorised

PyMOL 3.0 New Features

28 March 202428 March 2024 chris

An excellent brief introduction to PyMOL 3.0.

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Updated Mac mini and Mac Studio

26 August 202626 August 2026 chris

Hints and Tutorials Macinchem Blog Other Tips Science Apps

Installing the OpenADMET PXR anvil prediction

25 August 202625 August 2026 chris

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@macinchem.bsky.social 5 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/
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@macinchem.bsky.social 6 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/
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@macinchem.bsky.social 6 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/
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@macinchem.bsky.social 1 week

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 1 week

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

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Installing the OpenADMET PXR anvil prediction
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Some conferences and meetings that might be of interest.
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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

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