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Author: chris

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Macinchem Blog Other Tips

Powerbeats Pro one side not working fix

4 March 20264 March 2026 chris

A rather different post. I’m the owner of a pair of Powerbeats Pro that I’ve used while exercising for a couple of years. Recently the

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Macinchem Blog Science Apps

SpaceLightN

2 March 20262 March 2026 chris

SpaceLightN is a command line tool from Prof. Rarey (University of Hamburg) for similarity-based virtual screening in large combinatorial fragment spaces. It utilizes well-known fingerprints

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Macinchem Blog

Apply to lead a strategic research lab dedicated to fundamental artificial intelligence (AI) development. 

2 March 20262 March 2026 chris

This looks like an amazing opportunity. Apply to lead a strategic research lab dedicated to advancing the UK’s position in fundamental  artificial intelligence (AI) development.

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Fortran on a Mac Macinchem Blog

Fortran on a Mac

28 February 20262 March 2026 chris

I’ve updated the Fortran on a Mac page https://macinchem.org/fortran-on-a-mac/ Now includes gcc-15.2-mx-bin.tar.gz, gfortran-15.2-mx-bin.tar.gz (gfortran only), updated Jan 2026 (Tahoe — Apple Silicon).

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Data Analysis Tools Hints and Tutorials Macinchem Blog

CHEMBL2ML

28 February 202628 February 2026 chris

An interesting web app that fetches ChEMBL bioactivity data for a target (via UniProt ID), computes molecular descriptors, and trains a simple predictive model (regression, with

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Macinchem Blog

New national computing resources to open doors for researchers

27 February 202627 February 2026 chris

UK Research and Innovation (UKRI) has announced a £76 million investment to launch four new national compute resources (NCRs). The funding covers both equipment and

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Macinchem Blog

Analyticode 2026 Meeting

26 February 202626 February 2026 chris

Still time to register for the meeting, https://registrations.hg3conferences.co.uk/hg3/frontend/reg/tAgendaWebsite.csp?pageID=143942&ef_sel_menu=2690&eventID=354&mode= There is a fantastic lineup of speakers, still accepting poster abstracts and there are a couple of

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Hints and Tutorials Macinchem Blog Vortex Scripts

Vortex script using BioTransformer

22 February 202622 February 2026 chris

Prediction of the metabolism of small molecules is very challenging and so having a variety of different tools is always useful. I’ve previously written Vortex

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Macinchem Blog Science Apps

BBEdit updated

20 February 202620 February 2026 chris

BBEdit everyone’s favourite text editor has been updated to 15.5.5 This update contains only fixes for reported symptoms. Please see the release notes for previous versions for

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Macinchem Blog meetings

AI Club for Biomedicine

19 February 202619 February 2026 chris

Well it was standing room only at the last nights Cambridge Cheminformatics Network meeting Co-folding special. Many thanks to all the speakers I’m sorry we

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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    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...
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    Avogadro 2.0.0 released

    Avogadro is a free and open source molecular editor and visualization tool. The new release of Avogadro 2, is a major update, and includes major changes, a revised interface,...
  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    Looking at mlxmolkit — GPU-accelerated molecular clustering on Apple Silicon

    I've written several posts on the various options for clustering molecules...

    https://macinchem.org/2026/04/03/looking-at-mlxmolkit-gpu-accelerated-molecular-clustering-on-apple-silicon/
  • View post by on Bluesky

    @macinchem.bsky.social 7 days

    RSC CICAG Chemical Structure Representations Meeting 2026 

    I've just signed up for the meeting, hope to see you there at Burlington House, London, UK Wednesday 8th April 2026 A one-day conference...

    https://macinchem.org/2026/04/01/rsc-cicag-chemical-structure-representations-meeting-2026-2/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Mole2D molecule drawing package

    Mole2D is a lightweight molecule drawing package written in Python and PyQt6. All code is on GitHub https://github.com/sfmlab/mole2d and it requires RDKit and PyQt6.. PubChem lookup...

    https://macinchem.org/2026/03/31/mole2d-molecule-drawing-package/

Recent Posts

  • RSC CICAG Chemical Structure Representations Meeting 2026 
  • Avogadro 2.0.0 released
  • Looking at mlxmolkit — GPU-accelerated molecular clustering on Apple Silicon
  • RSC CICAG Chemical Structure Representations Meeting 2026 
  • Mole2D molecule drawing package
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