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Tag: artificial intelligence

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Hints and Tutorials Jupyter Notebook Macinchem Blog Uncategorised Vortex Scripts

PROTAC-Splitter: A Machine Learning Framework for Automated Identification of PROTAC Substructures

11 February 202614 February 2026 chris

PROteolysis TArgeting Chimeras (PROTACs) technology provides an alternative to module biological function by specially using the ubiquitin proteasome system to induce degradation of the target

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Macinchem Blog Other Tips

Xcode 26.3 unlocks the power of agentic coding

4 February 20264 February 2026 chris

Agents are all the rage in AI/ML at the moment so it is no surprise that Apple have updated Xcode. Developers can leverage coding agents,

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Macinchem Blog

Supporting LIGAND-AI’s search for ligands for understudied targets

27 January 202627 January 2026 chris

Interesting post from ChEMBL team. We are excited to announce the start of the LIGAND-AI project, a 5-year project involving 18 partners to find ligands

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Macinchem Blog

AI Club for Biomedicine

16 January 202616 January 2026 chris

Next up Date: 5 February 2026 Lecture Theatre, Jeffrey Cheah Biomedical Centre, Puddicombe Way, Cambridge CB2 0AW. No need to register in advance – just

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Data Analysis Tools Macinchem Blog

AI for Science Datasets: Request for Proposals

11 December 202511 December 2025 chris

Renaissance Philanthropy is releasing this call for AI for Science dataset proposals in collaboration with the UK’s Department for Science, Innovation and Technology (DSIT). This

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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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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    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 4 days

    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/
  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    Open Source Cheminformatics Toolkits

    When I wrote the article entitled A few thoughts on scientific software one of the responses I got was that people did not know about the existence of open-source chemistry...

    https://macinchem.org/2023/02/17/open-source-cheminformatics-toolkits/
  • View post by on Bluesky

    @macinchem.bsky.social 6 days

    Sweet J on Mac App Store

    Calculates the 3J coupling constant from the dihedral angle and the electronegativity of the substituents using either the Altona equation or a generalised Karplus equation. Sweet J can be downloaded...
  • View post by on Bluesky

    @macinchem.bsky.social 7 days

    AI Discovery Awards

    AI Discovery by Nebius is an annual awards for startups that are leveraging AI to revolutionize drug discovery, biotechnology, genomics and HealthTech.. Details are here https://nebius.com/ai-discovery-award...

    https://macinchem.org/2026/04/24/ai-discovery-awards/

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