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Category: Other Tips

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Macinchem Blog Other Tips Science Apps

OpenFold3-preview

15 March 202615 March 2026 chris

OpenFold3-preview is a biomolecular structure prediction model aiming to be a bitwise reproduction of DeepMind’sAlphaFold3, developed by the AlQuraishi Lab at Columbia University and the

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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 Other Tips Science Apps

Cheminformatics Microservice V3: a web portal for chemical structure manipulation and analysis

5 February 20265 February 2026 chris

There is an interesting paper in Journal of Cheminformatics  J Cheminform 17, 142 (2025). https://doi.org/10.1186/s13321-025-01094-1 Cheminformatics Microservice V3 aims to provide easily accessible and reproducible cheminformatics tools.

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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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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 Other Tips

MOE does not launch under MacOS 26 Tahoe

19 September 2025 chris

Given the issues with XQuartz under Tahoe it is not surprising that MOE from Chemical Computing Group does not run. We have learned that MOE will not

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Macinchem Blog Other Tips

SureChEMBl update

4 May 2025 chris

If you have been trying to access patent data via SureChEMBL recently you will be very aware that the team have been struggling to provide

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Macinchem Blog Other Tips

MayaChemTools Updated

9 April 202518 April 2025 chris

MayaChemTools is a growing collection of Perl and Python scripts, modules, and classes to support a variety of day-to-day computational discovery needs. The new release contained three new python

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Macinchem Blog Other Tips Science Apps Uncategorised

Mychem a chemoinformatics extension for MySQL

9 February 20259 February 2025 chris

Mychem is a chemoinformatics extension for MySQL that provides a set of functions that handles chemical data stored in a database. Mychem is based on

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Jupyter Notebook Other Tips Science Apps Spectroscopy

VeloxChem open-source quantum chemistry software

14 January 202514 January 2025 chris

I just stumbled across this and thought I’d flag it. VeloxChem is a Python-based open source quantum chemistry software developed for the calculation of molecular

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    @macinchem.bsky.social 2 days

    OpenADMET Blind Challenge: Predicting PXR Induction

    The next OpenADMET blind challenge focuses on predicting human Pregnane-X Receptor (hPXR) induction. The pregnane X receptor (hPXR) is the major...
  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    OpenFold3-preview

    OpenFold3-preview is a biomolecular structure prediction model aiming to be a bitwise reproduction of DeepMind'sAlphaFold3, developed by the AlQuraishi Lab at Columbia University and the OpenFold consortium. This research...
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    SCORE MLX Distilled CheMeleon molecular fingerprints on Apple Silicon

    ChemeleonSMD distills the CheMeleon pretrained Directed Message Passing Neural Network (DMPNN) into a SCORE-style...

    https://macinchem.org/2026/03/14/score-mlx-distilled-chemeleon-molecular-fingerprints-on-apple-silicon/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    PDB reaches a quarter of a million structures

    The Protein Data Bank is an invaluable resource for protein structural information. As well as being a resource used by structural biologists, medicinal chemists and...

    https://macinchem.org/2026/03/12/pdb-reaches-a-quarter-of-a-million-structures/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    mlxmolkit — GPU-accelerated molecular clustering on Apple Silicon

    Recently a guest post from NVIDIA described GPU-Accelerated Clustering with nvMolKit that uses CUDA. A recent post no...

    https://macinchem.org/2026/03/11/mlxmolkit-gpu-accelerated-molecular-clustering-on-apple-silicon/
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Recent Posts

  • RSC CICAG Chemical Structure Representations Meeting 2026 
  • OpenADMET Blind Challenge: Predicting PXR Induction
  • OpenFold3-preview
  • SCORE MLX Distilled CheMeleon molecular fingerprints on Apple Silicon
  • PDB reaches a quarter of a million structures
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