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Science Apps Spectroscopy

Spectroscopy page added

18 February 202315 April 2023 chris

https://macinchem.co.uk/spectroscopy-applications-for-macosx/

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Macinchem Blog Science Apps

Burette Updated

24 October 202624 October 2026 chris
Macinchem Blog Science Apps

Avogadro Updated

23 October 202623 October 2026 chris

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  • View post by on Bluesky

    @macinchem.bsky.social 12 hours

    Burette Updated

    Burette is a macOS desktop app and Quick Look extension for molecular previews: Mol* 3D, xyzrender SVG, and RDKit grids. There is a review of Burette here it can...
  • View post by on Bluesky

    @macinchem.bsky.social 1 day

    Avogadro Updated

    Avogadro is an advanced open source molecular editor and visualization tool. Download and installation instructions are here...
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    OpenBind Blind Challenge: Zika virus NS2B-NS3 protease

    On October 14th the OpenBind Blind Challenge was launched, the target is the Zika virus NS2B-NS3 protease. This challenge focuses on predicting how...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    An Updated Jupyter Notebook for docking

    In 2020 as a result of lockdown I was asked to help create a course for MRes students as an introduction to computer-aided drug design [DOI] that they all...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    Icms2yield AI-Predicted Full-Spectrum UV Correction Factors: An Analyte-Standard-Free Framework for Reaction Yield Quantification

    https://macinchem.org/2026/10/13/icms2yield-ai-predicted-full-spectrum-uv-correction-factors-an-analyte-standard-free-framework-for-reaction-yield-quantification/

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  • OpenBind Blind Challenge: Zika virus NS2B-NS3 protease
  • An Updated Jupyter Notebook for docking
  • Icms2yield AI-Predicted Full-Spectrum UV Correction Factors: An Analyte-Standard-Free Framework for Reaction Yield Quantification
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