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Tag: apple silicon

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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

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Macinchem Blog Science Apps

Chemcraft in beta for Mac ARM and Mac Intel

4 December 20234 December 2023 chris

You can download a beta version of Chemcraft here https://chemcraftprog.com/MacVersion.html Since this is not yet an Apple certified application read the installation instructions. Chemcraft is

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Macinchem Blog

Apple M3, M3 Pro & M3 Max — Chip Analysis

20 November 202320 November 2023 chris

A really interesting analysis of Apple silicon in particular the GPU design.

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Hints and Tutorials Uncategorised

Psi4 on Apple Silicon

17 November 202317 November 2023 chris

A couple of folks have asked about the availability of Psi4 on Apple Silicon From Wikipedia Psi is an ab initio computational chemistry package originally written by the research

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Hints and Tutorials Jupyter Notebook Macinchem Blog Science Apps

BioSimSpace and sire 2023.4.0 released!

21 October 202321 October 2023 chris

Great to hear about the release of BioSimSpace and sire 2023.4.0. New features in sire include support for running alchemical relative free energy calculations directly

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Macinchem Blog Reviews Science Apps

SCM on Apple Silicon

14 October 202314 October 2023 chris

Software for Chemistry and Materials (SCM) are the developers of the Amsterdam Modeling Suite a very highly regarded computational suite used by academic and industrial

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Macinchem Blog

Mac market share

11 July 202311 July 2023 chris

Just looking at the desktop market share over on statcounter. https://gs.statcounter.com/os-market-share/desktop/worldwide The MacOS market share seems to be steadily increasing, is this an Apple Silicon

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Macinchem Blog Science Apps

BioSimSpace and Sire 2023.3.0 released

4 July 20234 July 2023 chris

New features include support for alchemical absolute binding free energies, full trajectory read, write and editing support, search by smiles and smarts, complete units grammar

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Macinchem Blog

Which Mac to buy June 2023?

6 June 20236 June 2023 chris

I’m looking to upgrade my old cylindrical MacPro and I was waiting for WWDC23 to see what the Pro line might have to offer and

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Macinchem Blog Science Apps

alvaScience updates

20 April 202322 April 2023 chris

alvaBuilder v1.0.10: alvaDesc v2.0.16: alvaModel v2.0.8: alvaMolecule v2.0.6: alvaRunner v2.0.8:

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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 2 hours

    SCORE MLX Distilled CheMeleon molecular fingerprints on Apple Silicon

    ChemeleonSMD distills the CheMeleon pretrained Directed Message Passing Neural Network (DMPNN) into a SCORE-style...

    https://macinchem.org/2026/03/14/score-mlx-distilled-chemeleon-molecular-fingerprints-on-apple-silicon/
  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    PDB reaches a quarter of a million structures

    The Protein Data Bank is an invaluable resource for protein structural information. As well as being a resource used by structural biologists, medicinal chemists and...

    https://macinchem.org/2026/03/12/pdb-reaches-a-quarter-of-a-million-structures/
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    mlxmolkit — GPU-accelerated molecular clustering on Apple Silicon

    Recently a guest post from NVIDIA described GPU-Accelerated Clustering with nvMolKit that uses CUDA. A recent post no...

    https://macinchem.org/2026/03/11/mlxmolkit-gpu-accelerated-molecular-clustering-on-apple-silicon/
  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    Molecular Docking with Open Access Software

    In 2020 as a result of lockdown I was asked to help create a course for MRes students as an introduction to computer-aided drug design. [DOI] This work lead...
  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    RSC CICAG Chemical Structure Representation

    AI/ML have reignited our thoughts on how we represent chemical structures and so it is very timely that we have a conference on Structural Representation. Registration...

Recent Posts

  • SCORE MLX Distilled CheMeleon molecular fingerprints on Apple Silicon
  • PDB reaches a quarter of a million structures
  • mlxmolkit — GPU-accelerated molecular clustering on Apple Silicon
  • Molecular Docking with Open Access Software
  • RSC CICAG Chemical Structure Representation
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