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Month: July 2025

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  • July
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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Applescript Hints and Tutorials Macinchem Blog

Using ChemDraw as input for Boltz docking

11 July 202511 July 2025 chris

A recent paper described Boltz-1: Democratizing Biomolecular Interaction Modeling https://www.biorxiv.org/content/10.1101/2024.11.19.624167v2 Boltz-1, an open-source deep learning model incorporating innovations in model architecture, speed optimization, and data processing

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Macinchem Blog

CCL closure

10 July 202510 July 2025 chris

Just got this email  On Tue, Jul 8, 2025, 10:13 PM Jan Labanowski jasienku|a|gmail.com <owner-chemistry..ccl.net> wrote: Dear CCL Subscribers, CCL Closure With some melancholic feelings I need

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Recent Posts

  • BindFlow
  • ChEMBL 36 is out
  • chemfp 5.0 released
  • SimpleFold: Folding Proteins is Simpler than You Think
  • MOE does not launch under MacOS 26 Tahoe
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    This looks interesting, binding free energy calculations macinchem.org/2025/09/29/b...

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    BindFlow

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    I've now included a Bluesky feed onto the website. macinchem.org

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    ChEMBL 36 is out macinchem.org/2025/09/26/c...

    ChEMBL 36 is out – Macs in Chemistry

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    Chemfp 5.0 released macinchem.org/2025/09/25/c...

    chemfp 5.0 released – Macs in Chemistry

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