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Day: 16 March 2023

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Macinchem Blog Science Apps

ChimeraX 1.5

16 March 20235 May 2023 chris

Available for download https://www.rbvi.ucsf.edu/chimerax/download.html Open the downloaded DMG file and drag ChimeraX to your Applications folder. Includes native versions for M2, M1 and Intel Macs.

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Data Analysis Tools Macinchem Blog Science Apps

Gephi 0.10 released

16 March 202321 June 2023 chris

Gephi 0.10.0 is here! Download it from https://gephi.org, now supports Apple Silicon, It loads much faster and complex operations such as layouts run smoother. Gephi is

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Data Analysis Tools Macinchem Blog Science Apps

pro Fit data analysis

16 March 202325 May 2023 chris

pro Fit, a macOS application for curve fitting (linear and nonlinear regression), plotting, and data analysis for macOS. It runs natively on both Apple Silicon

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Macinchem Blog

Sheffield 9th Conference on Cheminformatics 

16 March 202322 May 2023 chris

The Sheffield Conference on Cheminformatics is always one of the highlights of the calendar, it will be held at The Edge, University of Sheffield, UK,

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    @macinchem.bsky.social 3 days

    Cambridge Cheminformatics Network Meeting

    Cambridge Cheminformatics Meeting, 22 April 2026 *** AI Agents for Omics *** Chemical Space Docking for Billion-Sized Libraries *** Quantum Chemistry for Protein-Ligand...
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    @macinchem.bsky.social 3 days

    mlxmolkit — GPU-accelerated molecular toolkit on Apple Silicon

    I've previously written about mlxmolkit in particular for clustering where see a 40-fold improvement in speed. The toolkit has now...

    https://macinchem.org/2026/04/08/mlxmolkit-gpu-accelerated-molecular-toolkit-on-apple-silicon/
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    @macinchem.bsky.social 5 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 6 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,...
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    @macinchem.bsky.social 1 week

    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/
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