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Year: 2025

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Macinchem Blog Science Apps

Q-Chem 6.4 released

24 December 202524 December 2025 chris

New features in the Q-Chem 6.4 release include: Core-valence separation (CVS) scheme for ROCIS, XCIS, and QROCISfor calculating accurate core-level spectra of open-shell systems (Avik

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Hints and Tutorials Macinchem Blog

RDMA over Thunderbolt support is now in macOS 26.2

19 December 202519 December 2025 chris

Remote direct memory access (RDMA) is direct memory access from the memory of one computer into that of another without involving either computer’s operating system. This permits high-throughput, low-latency memory access over

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Data Analysis Tools Macinchem Blog meetings

RSC Analyticode

18 December 202518 December 2025 chris

An interesting meeting on Monday 16 March 2026 at Burlington House, London, UK The life sciences sector is undergoing a profound transformation. Advances inautomation, next-generation

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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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Data Analysis Tools Hints and Tutorials Macinchem Blog Vortex Scripts

Vortex script for Hit expansion

9 December 20259 December 2025 chris

One of the frequent situations after running a screen is you have a list of hits and you want to select related analogues to explore

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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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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    A few upcoming meetings that may be of interest

    Cambridge Cheminformatics Meeting Cambridge Cheminformatics Meeting, 22 April 2026 *** AI Agents for Omics *** Chemical Space Docking for Billion-Sized Libraries...

    https://macinchem.org/2026/04/15/a-few-upcoming-meetings-that-may-be-of-interest/
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    iNMR updated 7.1.1 released

    iNMR is a fantastic app for NMR spectroscopy, it has been around for over 20 years and gets better with every release. It has been compiled for the Apple...

    https://macinchem.org/2026/04/14/inmr-updated-7-1-1-released/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Cambridge Cheminformatics Network Meeting

    Cambridge Cheminformatics Meeting, 22 April 2026 *** AI Agents for Omics *** Chemical Space Docking for Billion-Sized Libraries *** Quantum Chemistry for Protein-Ligand...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    mlxmolkit — GPU-accelerated molecular toolkit on Apple Silicon

    I've previously written about mlxmolkit in particular for clustering where see a 40-fold improvement in speed. The toolkit has now...

    https://macinchem.org/2026/04/08/mlxmolkit-gpu-accelerated-molecular-toolkit-on-apple-silicon/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    RSC CICAG Chemical Structure Representations Meeting 2026 

    We do have a lot of different molecular file format, from simple line notations like SMILES to cartesian coordinates (.xyz) to .trexio...
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  • A few upcoming meetings that may be of interest
  • iNMR updated 7.1.1 released
  • Cambridge Cheminformatics Network Meeting
  • mlxmolkit — GPU-accelerated molecular toolkit on Apple Silicon
  • RSC CICAG Chemical Structure Representations Meeting 2026 
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Also now on Bluesky @macinchem.bsky.social

@macinchem.bsky.social

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