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Category: Macinchem Blog

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Hints and Tutorials Macinchem Blog Other Tips

Update an Expired Certificate Error on HP Printer using a Mac

5 January 202616 January 2026 chris

This morning I tried to print something to my HP LaserJet Pro printer and got an error. A quick search of the HP website suggested

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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.bsky.social 3 days

    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 5 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 1 week

    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 1 week

    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 1 week

    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...
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