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Macinchem Blog Uncategorised

We had a bit of rain overnight.

3 January 20243 January 2024 chris

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Macinchem Blog Other Tips Science Apps

dock-postprocess

7 September 20267 September 2026 chris
Macinchem Blog

Updated Mac mini and Mac Studio

26 August 202626 August 2026 chris

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Previous: ChemEM: Flexible Docking of Small Molecules in Cryo-EM Structures
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  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    dock-postprocess

    This looks very useful. dock-postprocess is an open-source structure-based drug design toolkit for standardizing docking results and carrying them through restrained OpenMM minimization, pose QC, protein-ligand...

    https://macinchem.org/2026/09/07/dock-postprocess/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    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/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    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 2 weeks

    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 3 weeks

    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/
Last updated 10 minutes ago

Recent Posts

  • dock-postprocess
  • Updated Mac mini and Mac Studio
  • Installing the OpenADMET PXR anvil prediction
  • mlxmolkit updated
  • Some conferences and meetings that might be of interest.
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