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Day: 25 March 2023

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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

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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

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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

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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

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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

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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

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Reviews Science Apps Software Reviews

Scientific Computing and Modelling Software

25 March 20231 April 2023 chris

It is sometimes difficult to keep the website up to date with some of the software that I don’t use and so I was delighted

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  • View post by on Bluesky

    @macinchem.bsky.social 23 hours

    mlxmolkit — GPU-accelerated molecular clustering on Apple Silicon

    Recently a guest post from NVIDIA described GPU-Accelerated Clustering with nvMolKit that uses CUDA. A recent post no...

    https://macinchem.org/2026/03/11/mlxmolkit-gpu-accelerated-molecular-clustering-on-apple-silicon/
  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    Molecular Docking with Open Access Software

    In 2020 as a result of lockdown I was asked to help create a course for MRes students as an introduction to computer-aided drug design. [DOI] This work lead...
  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    RSC CICAG Chemical Structure Representation

    AI/ML have reignited our thoughts on how we represent chemical structures and so it is very timely that we have a conference on Structural Representation. Registration...
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    MOE now runs on macOS Tahoe!

    Just got this message. We're happy to announce the release of macOS-native MOE 2024.0604 for macOS Tahoe, also compatible with Big Sur and later versions (minimum version 11.5). The...

    https://macinchem.org/2026/03/09/moe-now-runs-on-macos-tahoe/
  • View post by on Bluesky

    @macinchem.bsky.social 6 days

    I'm in London for the RSC BMCS committee meeting. Looking around Burlington House I'm reminded what a great venue this is for scientific meetings. The next one I'll be at is Analyticode 2006 on 16 March 2026 www.rsc.org/events/detai.... Still time to register.

Recent Posts

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  • Molecular Docking with Open Access Software
  • RSC CICAG Chemical Structure Representation
  • MOE now runs on macOS Tahoe!
  • Flang 22 via Homebrew
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