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Tag: chemical drawing

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Macinchem Blog Science Apps

Mole2D molecule drawing package

31 March 202631 March 2026 chris

Mole2D is a lightweight molecule drawing package written in Python and PyQt6. All code is on GitHub https://github.com/sfmlab/mole2d and it requires RDKit and PyQt6.. PubChem

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Macinchem Blog Science Apps

ChemDoodle 2D v12.10 Update

4 February 20264 February 2026 chris

The popular chemistry drawing package ChemDoodle has been updated. Version 12.10.0 is a feature update for ChemDoodle 2D. Major additions include a much more powerful

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Macinchem Blog Science Apps

ChemDoodle Web Components v11 is Available

20 May 202520 May 2025 chris

Version 11.0.0 of the ChemDoodle Web Components completes the full removal of jQuery and jQuery UI. All UI elements (buttons, dialogs, etc.) are now built

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Macinchem Blog Science Apps

ChemDoodle 2D update

28 May 202428 May 2024 chris

Version 12.6.0 is a feature update for ChemDoodle 2D. Included are new features for EPS file output, new keyboard and tool actions familiar to experienced

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Macinchem Blog Science Apps

rdEditor

2 May 20242 May 2024 chris

rdEditor is a simple RDKit molecule editor GUI using PySide2. Code is on GitHub https://github.com/EBjerrum/rdeditor?tab=readme-ov-file The paper is on chemrxiv https://chemrxiv.org/engage/chemrxiv/article-details/65e6dcfa9138d23161b2979c

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Macinchem Blog Science Apps Software Reviews

CMD + V for chemistry: Image to chemical structure conversion directly done in the clipboard

2 March 20242 March 2024 chris

This is very cool. Clipboard-to-SMILES Converter (C2SC), is a macOS application that directly converts molecular structures from the clipboard. The app focuses on seamlessly converting

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Macinchem Blog

ChemDoodle updated

23 January 202423 January 2024 chris

Version 12.4.0 is a feature update for ChemDoodle 2D. Included is significant work on IUPAC naming output, support for atropisomer stereochemistry, improved and adjustable crosshair

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Applescript Hints and Tutorials

Retrieve chemical structure for a chemical name

29 October 202329 October 2023 chris

This simple script allows you to copy a chemical name to the clipboard and then use the Chemical Identifier Resolver service to get the corresponding

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Macinchem Blog Reviews Science Apps

A Review of ChemDoodle 7

10 October 202310 October 2023 chris

ChemDoodle is now firmly established as one of the key chemical drawing packages that offers an inexpensive alternative to some of the increasingly expensive drawing

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Macinchem Blog Science Apps

ChemDoodle 2D v12 is Unveiled

15 May 202315 May 2023 chris

iChemLabs have just announced the release of the hugely popular ChemDoodle 2D v12. https://ichemlabs.com/news/read?post=cd12_released ChemDoodle 2D v12 presents a new, refreshed interface. We took a

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    @macinchem.bsky.social 7 days

    Quantum Computing in Chemistry Conference

    RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to UtilityThursday 19th November 2026, Burlington House, London, UK...
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    @macinchem.bsky.social 1 week

    nanoFold a Protein Folding Data-Efficiency Competition

    An interesting way to look for better biological foundation models. The core bet is simple: biological data is expensive. Text and image models...

    https://macinchem.org/2026/04/29/nanofold-a-protein-folding-data-efficiency-competition/
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    PyChem-Pro

    I've just added PyChem-Pro to the list of cheminformatics toolkits https://macinchem.org/2023/02/17/open-source-cheminformatics-toolkits/ PyChem is a desktop chemistry application and Python library that combines molecular...

    https://macinchem.org/2026/04/27/pychem-pro/
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    @macinchem.bsky.social 2 weeks

    Open Source Cheminformatics Toolkits

    When I wrote the article entitled A few thoughts on scientific software one of the responses I got was that people did not know about the existence of open-source chemistry...

    https://macinchem.org/2023/02/17/open-source-cheminformatics-toolkits/
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    @macinchem.bsky.social 2 weeks

    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...
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