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
  • February
  • 18
  • Spectroscopy page added
Science Apps Spectroscopy

Spectroscopy page added

18 February 202315 April 2023 chris

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

Related Posts

Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps

Alvascience Tools Now Fully Optimized for Apple Silicon

15 January 202515 January 2025 chris
Jupyter Notebook Other Tips Science Apps Spectroscopy

VeloxChem open-source quantum chemistry software

14 January 202514 January 2025 chris

Post navigation

Previous: Vortex script to flag duplicates
Next: A review of alvaDesc

Recent Posts

  • Structure-aware generative molecular design: from 2D or 3D?
  • Alvascience Tools Now Fully Optimized for Apple Silicon
  • RSC CICAG Distillate (formerly Newsletter) now available
  • VeloxChem open-source quantum chemistry software
  • STOUT V2.0: SMILES to IUPAC name conversion using transformer models
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

Twitter feed

Chris Swain Follow

Avatar
Avatar Chris Swain @macinchem ·
15 Jan

Alvascience Tools Now Fully Optimized for Apple Silicon https://macinchem.org/2025/01/15/alvascience-tools-now-fully-optimized-for-apple-silicon/ #cheminformatics

Reply on Twitter 1879544054272397594 Retweet on Twitter 1879544054272397594 1 Like on Twitter 1879544054272397594 2 Twitter 1879544054272397594
Avatar Chris Swain @macinchem ·
14 Jan

Just stumbled across this https://macinchem.org/2025/01/14/veloxchem-open-source-quantum-chemistry-software/ #compchem

Reply on Twitter 1879075787149906222 Retweet on Twitter 1879075787149906222 Like on Twitter 1879075787149906222 Twitter 1879075787149906222
Avatar Chris Swain @macinchem ·
13 Jan

If you use Votex from @dotmatics, you might be interested in the scripts section I've written https://macinchem.org/category/vortex-scripts/

Reply on Twitter 1878825395673592215 Retweet on Twitter 1878825395673592215 Like on Twitter 1878825395673592215 Twitter 1878825395673592215
Avatar Chris Swain @macinchem ·
31 Dec

SMILES to IUPAC names https://macinchem.org/2024/12/31/stout-v2-0-smiles-to-iupac-name-conversion-using-transformer-models/

Reply on Twitter 1874058985198018770 Retweet on Twitter 1874058985198018770 1 Like on Twitter 1874058985198018770 10 Twitter 1874058985198018770
Load More

Archives

  • 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
  • Other Tips
  • Reviews
  • Science Apps
  • Software Reviews
  • Spectroscopy
  • Uncategorised
  • Vortex Scripts
  • Structure-aware generative molecular design: from 2D or 3D?
  • Alvascience Tools Now Fully Optimized for Apple Silicon
  • RSC CICAG Distillate (formerly Newsletter) now available
  • VeloxChem open-source quantum chemistry software
  • STOUT V2.0: SMILES to IUPAC name conversion using transformer models
All Rights Reserved 2024.
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.Ok