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Applescript Hints and Tutorials Macinchem Blog

Using ChemDraw as input for Boltz docking

11 July 20252 March 2026 chris

A recent paper described Boltz-1: Democratizing Biomolecular Interaction Modeling https://www.biorxiv.org/content/10.1101/2024.11.19.624167v2 Boltz-1, an open-source deep learning model incorporating innovations in model architecture, speed optimization, and data processing

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Hints and Tutorials Macinchem Blog Science Apps

Boltz on Apple Silicon

17 June 202518 June 2025 chris

A recent paper described Boltz-1: Democratizing Biomolecular Interaction Modeling https://www.biorxiv.org/content/10.1101/2024.11.19.624167v2 Boltz-1, an open-source deep learning model incorporating innovations in model architecture, speed optimization, and data

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Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps Software Reviews

TabPFN on Apple Silicon

31 January 202531 January 2025 chris

A recent paper published in Nature caught my eye, Accurate predictions on small data with a tabular foundation model by Hollmann et al., Here we present

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Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps

Alvascience Tools Now Fully Optimized for Apple Silicon

15 January 202515 January 2025 chris

Whilst Apple’s emulation later Rosetta2 that allows X86_64 applications to run on Apple Silicon this is not ideal especially for computationally intensive tasks. The latest

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Macinchem Blog Science Apps

AlvaDesc updated

12 December 202412 December 2024 chris

AlvaDesc v3.0.0 has been updated, it has a few new features but for Mac users it is now fully compatible with Apple Silicon!! AlvaDesc is

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Macinchem Blog Other Tips

M4 Mac mini teardown

13 November 202413 November 2024 chris

iFixit provide a detailed disassembly of the new Mac mini, highlighting upgrade options.

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Macinchem Blog

Apple Security Bounty for Private Cloud Compute

26 October 2024 chris

Apple are offering bounties for identification of vulnerabilities in their private cloud compute (PCC). PCC fulfills computationally intensive requests for Apple Intelligence, details are available

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Macinchem Blog Science Apps

Clipboard-to-SMILES-Converter

28 June 202428 June 2024 chris

I first mentioned this utility back in March and I’ve been using it since then and I have to say I find it invaluable. Clipboard-to-SMILES-Converter

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Macinchem Blog Uncategorised

Apple Intelligence an approach to AI privacy?

11 June 202411 June 2024 chris

This weeks WWDC gave details of upgrades to the various operating systems. Great to see the calculator make it to the iPad at last, the

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Macinchem Blog Science Apps

Amsterdam Modeling Suite 2024

14 May 202414 May 2024 chris

The Amsterdam Modeling Suite 2024 has just been released. The Amsterdam Modeling Suite is used by researchers in all areas of chemistry, materials science, and

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  • View post by on Bluesky

    @macinchem.bsky.social 6 days

    September Meetings

    If you are coming to the 9th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry meeting in Cambridge 2-4 September 2026. You might also be interested in the Cambridge Cheminformatics...

    https://macinchem.org/2026/05/11/september-meetings/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    OpenBind’s First Data and Model Release

    Lack of data has hampered the building of models to accurately predict binding affinity so I'm sure everyone is super excited to see the first tranche of data from...

    https://macinchem.org/2026/05/07/openbinds-first-data-and-model-release/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Quantum Computing in Chemistry Conference

    RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to UtilityThursday 19th November 2026, Burlington House, London, UK...
  • View post by on Bluesky

    @macinchem.bsky.social 3 weeks

    nanoFold a Protein Folding Data-Efficiency Competition

    An interesting way to look for better biological foundation models. The core bet is simple: biological data is expensive. Text and image models...

    https://macinchem.org/2026/04/29/nanofold-a-protein-folding-data-efficiency-competition/
  • View post by on Bluesky

    @macinchem.bsky.social 3 weeks

    PyChem-Pro

    I've just added PyChem-Pro to the list of cheminformatics toolkits https://macinchem.org/2023/02/17/open-source-cheminformatics-toolkits/ PyChem is a desktop chemistry application and Python library that combines molecular...

    https://macinchem.org/2026/04/27/pychem-pro/
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