Skip to content

Macs in Chemistry

A site for chemists using Macs in Chemistry

  • Home
  • Blog
  • Hints and Tutorials
    • Hints and Tutorials
      • Applescript
      • Other Tips
      • Jupyter Notebook
      • Vortex Scripts
  • iBabel
  • Science Apps
  • Reviews
    • Reviews
    • Apple Silicon
    • Software Reviews
      • Reviews
      • Data Analysis Tools
        • Open Source Python Data Science Libraries
      • Spectroscopy
      • Open Source Cheminformatics Toolkits
  • Fortran on a Mac
    • Fortran on a Mac
    • News items
  • Home
  • 2023
  • November
  • 22
  • An interesting Cheminformatics blog
Hints and Tutorials Macinchem Blog

An interesting Cheminformatics blog

22 November 202322 November 2023 chris

Just stumbled across this blog on cheminformatics, machine learning (ML) and data science projects in drug discovery. Lots of useful code!

Data in Life

https://jhylin.github.io/Data_in_life_blog/

Related Posts

Macinchem Blog Science Apps Spectroscopy

Sweet J on Mac App Store

25 April 202625 April 2026 chris
Macinchem Blog

AI Discovery Awards

24 April 202624 April 2026 chris

Post navigation

Previous: Cambridge Cheminformatics Meeting
Next: Mnova 15.0 released

  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    Sweet J on Mac App Store

    Calculates the 3J coupling constant from the dihedral angle and the electronegativity of the substituents using either the Altona equation or a generalised Karplus equation. Sweet J can be downloaded...
  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    AI Discovery Awards

    AI Discovery by Nebius is an annual awards for startups that are leveraging AI to revolutionize drug discovery, biotechnology, genomics and HealthTech.. Details are here https://nebius.com/ai-discovery-award...

    https://macinchem.org/2026/04/24/ai-discovery-awards/
  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    Innovate UK Venture Builder Pilot Expression of Interest

    An interesting potential funding opportunity Innovate UK is funding up to £150,000 for a pilot Innovate UK Venture Builder Programme to support...

    https://macinchem.org/2026/04/24/innovate-uk-venture-builder-pilot-expression-of-interest/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Generation of MedChem-similar Molecules

    A recent paper on ChemRxiv https://chemrxiv.org/doi/10.26434/chemrxiv-2025-9c1v6 describes ANNalog a transformer-based sequence-to-sequence generative model trained on pairs of...

    https://macinchem.org/2026/04/17/generation-of-medchem-similar-molecules/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    A few upcoming meetings that may be of interest

    Cambridge Cheminformatics Meeting Cambridge Cheminformatics Meeting, 22 April 2026 *** AI Agents for Omics *** Chemical Space Docking for Billion-Sized Libraries...

    https://macinchem.org/2026/04/15/a-few-upcoming-meetings-that-may-be-of-interest/

Recent Posts

  • Sweet J on Mac App Store
  • AI Discovery Awards
  • Innovate UK Venture Builder Pilot Expression of Interest
  • Generation of MedChem-similar Molecules
  • A few upcoming meetings that may be of interest
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

@macinchem.bsky.social

643 Followers 231 Following 201 Posts

Archives

  • April 2026
  • March 2026
  • February 2026
  • January 2026
  • December 2025
  • November 2025
  • October 2025
  • September 2025
  • August 2025
  • July 2025
  • June 2025
  • May 2025
  • April 2025
  • March 2025
  • February 2025
  • January 2025
  • December 2024
  • November 2024
  • October 2024
  • September 2024
  • August 2024
  • July 2024
  • June 2024
  • May 2024
  • April 2024
  • March 2024
  • February 2024
  • January 2024
  • December 2023
  • November 2023
  • October 2023
  • September 2023
  • July 2023
  • June 2023
  • May 2023
  • April 2023
  • March 2023
  • February 2023

Categories

  • Applescript
  • Data Analysis Tools
  • Fortran on a Mac
  • Hints and Tutorials
  • iBabel
  • Jupyter Notebook
  • Macinchem Blog
  • meetings
  • Other Tips
  • Reviews
  • Science Apps
  • Software Reviews
  • Spectroscopy
  • Uncategorised
  • Vortex Scripts
  • Sweet J on Mac App Store
  • AI Discovery Awards
  • Innovate UK Venture Builder Pilot Expression of Interest
  • Generation of MedChem-similar Molecules
  • A few upcoming meetings that may be of interest
All Rights Reserved 2026.
Proudly powered by WordPress | Theme: Fairy by Candid Themes.
We use cookies to ensure that we give you the best experience on our website. If you continue to use this site we will assume that you are happy with it.