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
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
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
Macinchem Blog Other Tips Science Apps

Parallel docking using EasyDock

5 November 20235 November 2023 chris

As virtual libraries get ever larger the challenges of virtual screening get larger. Whilst docking into a target protein is a very popular and successful

Read More
Macinchem Blog Science Apps

ChemDoodle 3D v7.2 Update Available

23 October 202323 October 2023 chris

The updated version of ChemDoodle 3D v7.2 includes advanced symmetry analysis features for finite sets of atoms and small molecules. A new widget is provided

Read More
Hints and Tutorials Jupyter Notebook Macinchem Blog Science Apps

BioSimSpace and sire 2023.4.0 released!

21 October 202321 October 2023 chris

Great to hear about the release of BioSimSpace and sire 2023.4.0. New features in sire include support for running alchemical relative free energy calculations directly

Read More
Data Analysis Tools Macinchem Blog Science Apps

StarDrop for the Cloud released

19 October 202319 October 2023 chris

StarDrop is now available in the cloud via Amazon Web Services (AWS). This means that we’re now able to provide the StarDrop software as a

Read More
Macinchem Blog Science Apps

RDKit update released

16 October 202316 October 2023 chris

2023_09_1 (Q3 2023) Release https://github.com/rdkit/rdkit/releases/tag/Release_2023_09_1 Highlights Plus lots of other changes and enhancements

Read More
Hints and Tutorials Macinchem Blog Science Apps

ChemSpider webinars

16 October 202316 October 2023 chris

I just want to mention some upcoming ChemSpider webinars Chemistry data is constantly evolving. We know you need to keep up with developments to elevate

Read More
Macinchem Blog Reviews Science Apps

SCM on Apple Silicon

14 October 202314 October 2023 chris

Software for Chemistry and Materials (SCM) are the developers of the Amsterdam Modeling Suite a very highly regarded computational suite used by academic and industrial

Read More
Macinchem Blog Science Apps

Lig3DLens An open source ligand-based 3D virtual screening toolbox from Healx

14 October 202314 October 2023 chris

Whilst there are a number of proprietary applications for virtual screening there are few open-source alternatives. Whilst most of the functionality needed is available in

Read More

Posts navigation

1 2 … 7 Next

Recent Posts

  • Mnova 15.0 released
  • An interesting Cheminformatics blog
  • Cambridge Cheminformatics Meeting
  • Apple M3, M3 Pro & M3 Max — Chip Analysis
  • Psi4 on Apple Silicon
Subscribe to the RSS feed

Twitter feed

Chris Swain Follow

Avatar
Retweet on Twitter Chris Swain Retweeted
Avatar RSC BMCS @rsc_bmcs ·
27 Nov

Announcing our 6th and final speaker for RSC-BMCS Hot Topics 2023!

@disney_lab from @UFScripps, speaking on 'Design of Bioactive Small Molecules Targeting RNA'.

Register in the next 2 DAYS to watch this talk live👉 https://www.eventsforce.net/hg3/260/register

Reply on Twitter 1729164804961796557 Retweet on Twitter 1729164804961796557 6 Like on Twitter 1729164804961796557 10 Twitter 1729164804961796557
Retweet on Twitter Chris Swain Retweeted
Avatar RSC BMCS @rsc_bmcs ·
24 Nov

Announcing our 5th speaker for RSC-BMCS Hot Topics 2023!

@rabiatkhan from @serna_bio, speaking on 'Opportunities and challenges in small molecules targeting RNA - do we need a new tool kit?'

Click here to register before 29th of November👉https://www.eventsforce.net/hg3/frontend/reg/thome.csp?pageID=101159&eventID=260

Reply on Twitter 1728087914121216056 Retweet on Twitter 1728087914121216056 5 Like on Twitter 1728087914121216056 3 Twitter 1728087914121216056
Avatar Chris Swain @macinchem ·
23 Nov

Mnova 15.0 released https://macinchem.org/2023/11/23/mnova-15-0-released/

Reply on Twitter 1727681218362196173 Retweet on Twitter 1727681218362196173 Like on Twitter 1727681218362196173 1 Twitter 1727681218362196173
Retweet on Twitter Chris Swain Retweeted
Avatar RSC BMCS @rsc_bmcs ·
22 Nov

Announcing our third speaker for RSC-BMCS Hot Topics: Targeting RNA 2023!

@OlallaLab from Philipps-University Marburg, speaking on 'Controlling gene expression with light: photoswitches for mRNA splicing'

There's still time to register! Click here👉https://www.eventsforce.net/hg3/frontend/reg/thome.csp?pageID=101159&eventID=260&CSPCHD=0020010000000KmPxQsnQm8aqAgGAyxBW1tzhFKqx4EbNP39Mg

Reply on Twitter 1727346773222740177 Retweet on Twitter 1727346773222740177 6 Like on Twitter 1727346773222740177 9 Twitter 1727346773222740177
Load More

Archives

  • 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
  • Mnova 15.0 released
  • An interesting Cheminformatics blog
  • Cambridge Cheminformatics Meeting
  • Apple M3, M3 Pro & M3 Max — Chip Analysis
  • Psi4 on Apple Silicon
All Rights Reserved 2023.
Proudly powered by WordPress | Theme: Fairy by Candid Themes.