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Tag: artificial intelligence

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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 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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Hints and Tutorials Macinchem Blog

Use the Foundation Models framework to access the on-device LLM that powers Apple Intelligence.

8 October 2025 chris
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Macinchem Blog

OpenADMET Challenge

5 October 20255 October 2025 chris

OpenADMET have just announced the ExpansionRx-OpenADMET blind challenge in partnership with Expansion Therapeutics. Expansion Therapeutics have decided to make all the ADMET publicly available. “We

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Hints and Tutorials Jupyter Notebook Macinchem Blog

SimpleFold: Folding Proteins is Simpler than You Think

24 September 202524 September 2025 chris

Apple just posted preprint on arxiv describing a new protein structure prediction tool SimpleFold https://arxiv.org/pdf/2509.18480. All code is available on GitHub https://github.com/apple/ml-simplefold including a simple

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Macinchem Blog meetings

AI meetings in Cambridge

18 August 2025 chris

Two free meetings at the start of September. Full details here https://www.c-inf.net and on the 4th September The first event of Michaelmas term with two

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Macinchem Blog meetings

8th Artificial Intelligence in Chemistry Conference

21 February 202525 March 2025 chris

Abstract submission is now open for the 8th RSC-CICAG/BMCS Artificial Intelligence in Chemistry Meeting. Details of the meeting are here https://www.rscbmcs.org/events/aichem8/ You can submit abstracts

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Data Analysis Tools Hints and Tutorials Jupyter Notebook Macinchem Blog Software Reviews

Looking at TabPFN

6 February 202517 February 2025 chris

TabPFN is a foundation model  trained on around 130,000,000 synthetically generated datasets that mimic “real world” tabular data. These datasets sampled dataset size and number

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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    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 1 week

    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 1 week

    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 1 week

    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...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Review of Burrete

    How often have you found a structure file on your desktop and wondered what it contained? You could open it in the relevant software application but one of the...
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