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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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    @macinchem.bsky.social 1 day

    Building a 3D Pharmacophore Model from PDB Data: A free Python Workflow

    https://www.linkedin.com/feed/update/urn:li:activity:7461059877155631105 A fantastic step-by-step breakdown of an...
  • View post by on Bluesky

    @macinchem.bsky.social 6 days

    September Meetings

    If you are coming to the 9th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry meeting in Cambridge 2-4 September 2026. You might also be interested in the Cambridge Cheminformatics...

    https://macinchem.org/2026/05/11/september-meetings/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    OpenBind’s First Data and Model Release

    Lack of data has hampered the building of models to accurately predict binding affinity so I'm sure everyone is super excited to see the first tranche of data from...

    https://macinchem.org/2026/05/07/openbinds-first-data-and-model-release/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    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 3 weeks

    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/

Recent Posts

  • Building a 3D Pharmacophore Model from PDB Data: A free Python Workflow
  • September Meetings
  • OpenBind’s First Data and Model Release
  • Quantum Computing in Chemistry Conference
  • nanoFold a Protein Folding Data-Efficiency Competition
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