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: Science Apps

Finding scientific applications has always been a little hit and miss since there is no “science” category on the iTunes store. To help out I’ve created a database listing applications that I knew about

  • Home
  • Blog
  • Science Apps
  • Page 12
Macinchem Blog Science Apps

alvaScience updates

20 April 202322 April 2023 chris

alvaBuilder v1.0.10: alvaDesc v2.0.16: alvaModel v2.0.8: alvaMolecule v2.0.6: alvaRunner v2.0.8:

Read More
Macinchem Blog Science Apps

UCSF Chimera update

15 April 202315 April 2023 chris

A new production release of UCSF Chimera (version 1.17) is available: https://www.rbvi.ucsf.edu/chimera/download.html Updating to 1.17 is required to continue to use the following tools: BLAST

Read More
Hints and Tutorials Other Tips Science Apps

Using sqlite for exact search

12 April 202312 April 2023 chris

Whilst on most occasions chemical searches involve substructure or similarity searches there are occasions when a simple exact match of a compound identifier (or list

Read More
Hints and Tutorials Other Tips Science Apps

Cheminformatics on a Mac

6 April 20236 April 2023 chris

There have been some changes with Homebrew which have meant that a few of the scientific applications are no longer available so I’ve decided to

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
Data Analysis Tools Other Tips Reviews Science Apps

Stardrop update

25 March 20236 May 2023 chris

StarDrop is an application from Optibrium that was designed to aid decision making for scientists involved in drug discovery.  Virtual Library Enumeration  The Nova module allows

Read More
Data Analysis Tools Reviews Science Apps Software Reviews

A Review of StarDrop

25 March 20231 April 2023 chris

StarDrop is an application from Optibrium that was designed to aid decision making for scientists involved in drug discovery. During the course of a drug discovery

Read More
Data Analysis Tools Reviews Science Apps Software Reviews

A review of StatPlus:mac

25 March 20231 April 2023 chris

Whilst Excel has been around on the Mac platform since 1985 and is probably the leading spreadsheet application, the data analysis capabilities and statistical analysis

Read More

Posts pagination

Previous 1 … 11 12 13 … 16 Next

  • View post by on Bluesky

    @macinchem.bsky.social 3 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 4 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 4 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 2 weeks

    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/
Last updated 10 minutes ago

Recent Posts

  • PyChem-Pro
  • Sweet J on Mac App Store
  • AI Discovery Awards
  • Innovate UK Venture Builder Pilot Expression of Interest
  • Generation of MedChem-similar Molecules
Subscribe to the RSS feed

Also now on Bluesky @macinchem.bsky.social

@macinchem.bsky.social

643 Followers 231 Following 201 Posts

Last updated 10 minutes ago

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
  • PyChem-Pro
  • Sweet J on Mac App Store
  • AI Discovery Awards
  • Innovate UK Venture Builder Pilot Expression of Interest
  • Generation of MedChem-similar Molecules
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.