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A site for chemists using Macs in Chemistry

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Month: April 2024

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Macinchem Blog

OpenELM: An Efficient Language Model Family with Open-source Training and Inference Framework

26 April 202426 April 2024 chris

Apple have just released OpenELM, a family of Open-source Efficient Language Models. https://huggingface.co/apple/OpenELM

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Macinchem Blog

Cambridge Cheminformatics Network Meeting

23 April 202423 April 2024 chris

 The next Cambridge Cheminformatics Meeting – on 8 May 2024, 4pm UK time; Hybrid, at the CCDC and on Zoom! Full details are on the

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Data Analysis Tools Hints and Tutorials Science Apps

MolPipeline

22 April 202422 April 2024 chris

This looks very useful for anyone having to process multiple molecules, I particularly like the error processing! The open-source package scikit-learn provides various machine learning

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Data Analysis Tools Hints and Tutorials Jupyter Notebook Macinchem Blog

TMAP on Apple Silicon

16 April 202422 April 2024 chris

tmap is a very fast visualisation library for large, high-dimensional data sets. It was published in 2020 DOI and the code is available on GitHub

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Data Analysis Tools Hints and Tutorials Jupyter Notebook Macinchem Blog

A Jupyter Notebook to compare similarity between molecules

11 April 202411 April 2024 chris

I’m sometimes asked for a tool to compare the similarity of a list of molecules with every other molecule in the list. I suspect there

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Macinchem Blog Science Apps

Finding Antibodies in Cryo-EM densities with CrAI

5 April 20245 April 2024 chris

Interesting paper on Biorxiv https://www.biorxiv.org/content/10.1101/2023.09.27.559736v1.full.pdf We propose a method dedicated to finding antibodies in cryo-EM densities : CrAI. This machine learning method leverages the conserved structure

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Macinchem Blog

WWDC24

5 April 20245 April 2024 chris

The Apple worldwide developer conference is on June 10–14, 2024. Whilst there is likely to be updates to Apple hardware and OS, given the recent

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Data Analysis Tools Macinchem Blog

ReALM: Reference Resolution As Language Modeling

2 April 2024 chris

A new Apple preprint has appeared on Arxiv. https://arxiv.org/pdf/2403.20329.pdf Reference resolution is an important problem, one that is essential to understand and success- fully handle

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Recent Posts

  • MayaChemTools updated
  • BindFlow
  • ChEMBL 36 is out
  • chemfp 5.0 released
  • SimpleFold: Folding Proteins is Simpler than You Think
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    MayaChemTools updated

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    This looks interesting, binding free energy calculations macinchem.org/2025/09/29/b...

    BindFlow – Macs in Chemistry

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    BindFlow

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    I've now included a Bluesky feed onto the website. macinchem.org

    Macs in Chemistry – A site for chemists using Macs in Chemistry

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    ChEMBL 36 is out macinchem.org/2025/09/26/c...

    ChEMBL 36 is out – Macs in Chemistry

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