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Day: 18 July 2025

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Data Analysis Tools Hints and Tutorials Macinchem Blog Vortex Scripts

Selecting random clusters from a large dataset in Vortex

18 July 2025 chris

When making selections from large datasets it is worth mentioning that as datasets get larger a simple random selection is often the best (and quickest)

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  • View post by on Bluesky

    @macinchem.bsky.social 13 hours

    Google Chrome Extension

    This a Google Chrome Extension, it allows you so select a drug name in a web page (for example), right-click and from the dropdown menu there is the option...
  • View post by on Bluesky

    @macinchem.bsky.social 16 hours

    This a Safari Extension, it allows you so select a drug name in a web page and view the structure macinchem.org/2026/09/29/s...
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    AlvaSketcher has been updated to include R-group support macinchem.org/2026/09/12/a...
  • View post by on Bluesky

    @macinchem.bsky.social 6 days

    mlxmolkit updated

    mlxmolkit is a GPU-accelerated molecular toolkit using MLX on Apple Silicon, it is a port of nvMolKit that uses Cuda. It now includes AreaWhat it doesEntry pointConformersDrop-in for RDKit EmbedMolecules:...

    https://macinchem.org/2026/09/23/mlxmolkit-updated-2/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    ChemDoodle Update

    ChemDoodle 2D has been updated. The main focus is expanded support for inorganic compounds and complexes, including haptic bonds and multi-center attachments, their use in formula and mass calculations,...

    https://macinchem.org/2026/09/20/chemdoodle-update/

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