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

Category: Software Reviews

A Growing Collection of Reviews of Scientific Software

  • Home
  • Blog
  • Software Reviews
Hints and Tutorials Jupyter Notebook Macinchem Blog Software Reviews

BitBirch update

10 April 202510 April 2025 chris

I’ve written a comparison of various clustering tools including BitBirch. A recent preprint [DOI] has illustrated BitBIRCH Clustering Refinement Strategies. In this Application Note we

Read More
Data Analysis Tools Hints and Tutorials Jupyter Notebook Macinchem Blog Software Reviews

Looking at TabPFN

6 February 202517 February 2025 chris

TabPFN is a foundation model  trained on around 130,000,000 synthetically generated datasets that mimic “real world” tabular data. These datasets sampled dataset size and number

Read More
Data Analysis Tools Hints and Tutorials Macinchem Blog Science Apps Software Reviews

TabPFN on Apple Silicon

31 January 202531 January 2025 chris

A recent paper published in Nature caught my eye, Accurate predictions on small data with a tabular foundation model by Hollmann et al., Here we present

Read More
Macinchem Blog Software Reviews

Sire paper out.

1 June 20241 June 2024 chris

Sire is a Python/C++ library that is used both to prototype new algorithms and as an interoperability engine for exchanging information between molecular simulation programs.

Read More
Macinchem Blog Science Apps Software Reviews

CMD + V for chemistry: Image to chemical structure conversion directly done in the clipboard

2 March 20242 March 2024 chris

This is very cool. Clipboard-to-SMILES Converter (C2SC), is a macOS application that directly converts molecular structures from the clipboard. The app focuses on seamlessly converting

Read More
Macinchem Blog Reviews Science Apps Software Reviews

Looking at Rowan a web-native quantum chemistry package

27 January 202428 January 2024 chris

Rowan is a software platform that makes it possible to run high-level quantum chemical calculations through a web interface. In general, running quantum chemical calculations

Read More
Reviews Science Apps Software Reviews

Review of SDF Pro from Adroit DI. June 2023

5 November 202312 November 2023 chris

SDF Pro enables chemists to upload, organise, and integrate chemical and biological data at scale. With the ability to import and manage millions of data records

Read More
Reviews Science Apps Software Reviews Spectroscopy

MOE 2015.10 Review

25 March 20231 April 2023 chris

The 2015.10 release of Chemical Computing Group’s Molecular Operating Environment (MOE) software includes a number of new features, enhancements and changes and I thought it might be

Read More
Reviews Science Apps Software Reviews

Comparison of bioactivity predictions

25 March 20231 April 2023 chris

Small molecules can potentially bind to a variety of bimolecular targets and whilst counter-screening against a wide variety of targets is feasible it can be

Read More
Data Analysis Tools Reviews Science Apps Software Reviews

A Review of Wizard Pro

25 March 20231 April 2023 chris

Wizard is an intuitive data analysis tool, designed from the ground up to be readily accessible but still retain the power of sophisticated command line driven

Read More

Posts pagination

1 2 … 6 Next

Recent Posts

  • Q-Chem 6.3 released
  • Apple WWDC 2025
  • Open Molecules 2025 (OMol25)
  • Datagrok platform
  • ChemDoodle Web Components v11 is Available
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

Twitter feed

Chris Swain Follow

Avatar
Retweet on Twitter Chris Swain Retweeted
Avatar RSC BMCS @rsc_bmcs ·
10 Jun

Don't forget to register for the BMCS New approaches to the treatment of Parkinson's meeting ❗

πŸ“… 12th November 2025
πŸ“ Burlington House, London
❗ Abstract submission deadline - 5th September 2025

In the dynamic field of drug discovery, the search for new treatments for…

Reply on Twitter 1932422496307077138 Retweet on Twitter 1932422496307077138 1 Like on Twitter 1932422496307077138 1 Twitter 1932422496307077138
Avatar Chris Swain @macinchem ·
9 Jun

Just wanted to highlight New approaches to the treatment of Parkinsons' conference. Awesome lineup of speakers. #BMCSPARKINSONS2025 https://www.cambridgemedchemconsulting.com/news/index_files/493ba583ffb0ec070bb5caf6d7fa9bff-578.html

Reply on Twitter 1932036437165084789 Retweet on Twitter 1932036437165084789 Like on Twitter 1932036437165084789 1 Twitter 1932036437165084789
Avatar Chris Swain @macinchem ·
8 Jun

WWDC25 is tomorrow https://macinchem.org/2025/06/08/apple-wwdc-2025/

Reply on Twitter 1931624543321235891 Retweet on Twitter 1931624543321235891 Like on Twitter 1931624543321235891 Twitter 1931624543321235891
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
Load More

Archives

  • 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
  • Q-Chem 6.3 released
  • Apple WWDC 2025
  • Open Molecules 2025 (OMol25)
  • Datagrok platform
  • ChemDoodle Web Components v11 is Available
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