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

Year: 2023

  • Home
  • 2023
  • Page 2
Macinchem Blog Science Apps

Visual Interactive Analysis of Molecular Dynamics

5 December 20235 December 2023 chris

Recently updated https://github.com/scanberg/viamd VIAMD is an interactive analysis tool for molecular dynamics (MD) written in C/C++. VIAMD is developed in collaboration with the Department for

Read More
Macinchem Blog Science Apps

Chemcraft in beta for Mac ARM and Mac Intel

4 December 20234 December 2023 chris

You can download a beta version of Chemcraft here https://chemcraftprog.com/MacVersion.html Since this is not yet an Apple certified application read the installation instructions. Chemcraft is

Read More
Macinchem Blog

Generating Molecular Conformer Fields

3 December 20233 December 2023 chris

Generating conformations is always an issue, once there are multiple rotatable bonds then an exhaustive search becomes computationally intensive. So I always keep an eye

Read More
Macinchem Blog

Mnova 15.0 released

23 November 2023 chris

Mnova 15 is a major release that incorporates many new features in NMR, MSChrom, Mgears, ElViS, DB, new product versions such as Chrom Reaction Optimization 1.1, QC Profiling 1.2 and Multiplet Report 1.1, and the

Read More
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/

Read More
Macinchem Blog

Cambridge Cheminformatics Meeting

21 November 202321 November 2023 chris

6 December 2023, 4-5.30pm UK,free/open to all HYBRID (@CCDC/on Zoom) Details & Registration: http://www.C-INF.net

Read More
Macinchem Blog

Apple M3, M3 Pro & M3 Max — Chip Analysis

20 November 202320 November 2023 chris

A really interesting analysis of Apple silicon in particular the GPU design.

Read More
Hints and Tutorials Uncategorised

Psi4 on Apple Silicon

17 November 202317 November 2023 chris

A couple of folks have asked about the availability of Psi4 on Apple Silicon From Wikipedia Psi is an ab initio computational chemistry package originally written by the research

Read More
Uncategorised

RSC Chemical Information and Computer Applications Interest Group.

8 November 202310 November 2023 chris

It is that time of year when Royal Society of Chemistry membership subscriptions arrive. One interesting point is that whilst every RSC member can join

Read More
Macinchem Blog Other Tips Science Apps

REINVENT4

7 November 20237 November 2023 chris

REINVENT is a molecular design tool for de novo design, scaffold hopping, R-group replacement, linker design, molecule optimization, and other small molecule design tasks. At

Read More

Posts pagination

Previous 1 2 3 … 20 Next

Recent Posts

  • Open Molecules 2025 (OMol25)
  • Datagrok platform
  • ChemDoodle Web Components v11 is Available
  • Vortex script to change display of workspace
  • AMS2025 released
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

Twitter feed

Chris Swain Follow

Avatar
Avatar Chris Swain @macinchem ·
9 May

We now have a number of confirmed speakers for the New approaches to the treatment of Parkinsons' meeting (Wednesday, 12th November, 2025) , with a couple more just waiting confirmation. Registration is now open https://www.rscbmcs.org/events/parkinsons25/ #BMCSPARKINSONS2025

Reply on Twitter 1920863012090499100 Retweet on Twitter 1920863012090499100 Like on Twitter 1920863012090499100 Twitter 1920863012090499100
Retweet on Twitter Chris Swain Retweeted
Avatar RSC BMCS @rsc_bmcs ·
29 Apr

🧪 Final Call: Poster Abstracts Due This Friday! 🧪

Don't miss your chance to present at the upcoming AI in Chemistry event! We're inviting submissions for poster abstracts until Friday 2nd May!

📅 Deadline for poster abstracts: Friday 2nd May, 2025
🔗 Submit here:…

Reply on Twitter 1917135412612538403 Retweet on Twitter 1917135412612538403 2 Like on Twitter 1917135412612538403 3 Twitter 1917135412612538403
Avatar Chris Swain @macinchem ·
24 Apr

Using JDBC with Vortex https://macinchem.org/2025/04/24/using-jdbc-with-vortex/

Reply on Twitter 1915475887086055655 Retweet on Twitter 1915475887086055655 Like on Twitter 1915475887086055655 Twitter 1915475887086055655
Avatar Chris Swain @macinchem ·
18 Apr

The latest update to MayaChemTools https://macinchem.org/2025/04/09/mayachemtools-updated-2/ has been updated!

Reply on Twitter 1913124887608123486 Retweet on Twitter 1913124887608123486 1 Like on Twitter 1913124887608123486 1 Twitter 1913124887608123486
Load More

Archives

  • 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
  • Open Molecules 2025 (OMol25)
  • Datagrok platform
  • ChemDoodle Web Components v11 is Available
  • Vortex script to change display of workspace
  • AMS2025 released
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