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Month: November 2025

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Hints and Tutorials Macinchem Blog

External drives for Mac

30 November 202530 November 2025 chris

I’ve updated the page describing my testing of various external hard drive options. https://macinchem.org/wp-admin/post.php?post=1899 On my Mac Studio M2 Ultra the ACASIS 80Gbps M.2 NVMe

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Macinchem Blog meetings

Latest Cambridge AI Club for Biomedicine meeting

27 November 202527 November 2025 chris

Next meeting 5-15 pm 4 December 2025, Lecture Theatre, Jeffrey Cheah Biomedical Centre, Puddicombe Way, Cambridge CB2 0AW. No need to register in advance –

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Macinchem Blog

UK AI for Science Strategy

21 November 202521 November 2025 chris

This could be interesting… https://www.gov.uk/government/publications/ai-for-science-strategy/ai-for-science-strategy It is the execution that matters.

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Hints and Tutorials Macinchem Blog

External SSD drives

21 November 202521 November 2025 chris

I’ve just purchased another external hard drive, after reviewing options I ended up buying another Acacias enclosure with the Crucial P310 4TB SSD M.2 2280

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Macinchem Blog meetings

Joining or Renewing RSC membership

19 November 202519 November 2025 chris

It is that time of the year when Royal Society of Chemistry membership forms arrive in the letterbox. Most people don’t join any of the

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Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps

TabPFN-2.5

10 November 202510 November 2025 chris

I’ve reviewed TabPFN in the past. https://macinchem.org/2025/02/06/looking-at-tabpfn and I noticed there was a recent update. TabPFN is a foundation model  trained on around 130,000,000 synthetically generated

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Data Analysis Tools Macinchem Blog

Isambard-AI and Dawn AIRR supercomputers: Innovator route

6 November 20256 November 2025 chris

Isambard-AI and Dawn AIRR supercomputers: Innovator route Apply for up to 150,000 graphics processing unit hours on the Isambard-AI and Dawn supercomputers for artificial intelligence

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Data Analysis Tools Macinchem Blog Science Apps

Another update

5 November 2025 chris

Stardrop 8 now includes realtime collaboration StarDrop 8 integrates real-time collaboration into every stage of the compound design and optimisation workflow, enabling teams to make better decisions

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Data Analysis Tools Macinchem Blog Science Apps

A few updates

5 November 20255 November 2025 chris

Alvascience recently released a new major version of our tool, alvaModel, our software tool to build, compare, and deploy QSAR/QSPR Models (https://www.alvascience.com/alvamodel/).  New Modeling CapabilitiesRegression

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    @macinchem.bsky.social 3 days

    OpenADMET PXR challenge PyMOL session file

    The ability to predict ADMET (Absorption, Distribution, Metabolism, Excretion and Toxicity) properties is critical to accelerating new medicine discovery. In an effort to...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Quick Look Doctor

    In the review of Burette a Quick Look extension for chemical filetypes I wrote:- There are issues with this system, the same file type e.g. .sdf can be opened...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Raymol, Molecular visualisation for Mac, Ipad, iPhone

    One of the advantages of Apple Silicon is we are starting to see applications that take advantage of the new hardware. Raymol is a free Metal-based...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    ProLIF updated

    ProLIF (Protein-Ligand Interaction Fingerprints) is a tool designed to generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA molecules extracted from molecular dynamics trajectories, docking...

    https://macinchem.org/2026/07/29/prolif-updated/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    The website for RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to Utility at Burlington House, London, UK on 19th November has been updated. Includes links for abstract submission, registration and bursaries. registrations.hg3conferences.co.uk/hg3/frontend...
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Recent Posts

  • OpenADMET PXR challenge PyMOL session file
  • Quick Look Doctor
  • Raymol, Molecular visualisation for Mac, Ipad, iPhone
  • ProLIF updated
  • Review of Burette
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