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Tag: CICAG

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Macinchem Blog meetings

Quantum Computing in Chemistry Conference

1 May 20261 May 2026 chris

RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to UtilityThursday 19th November 2026, Burlington House, London, UK https://registrations.hg3conferences.co.uk/hg3/frontend/reg/thome.csp?pageID=148219&ef_sel_menu=2770&eventID=363 Quantum computing has the

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Macinchem Blog meetings

RSC CICAG Chemical Structure Representation

10 March 202610 March 2026 chris

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.

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Macinchem Blog

Analyticode 2026 Meeting

26 February 202626 February 2026 chris

Still time to register for the meeting, https://registrations.hg3conferences.co.uk/hg3/frontend/reg/tAgendaWebsite.csp?pageID=143942&ef_sel_menu=2690&eventID=354&mode= There is a fantastic lineup of speakers, still accepting poster abstracts and there are a couple of

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Macinchem Blog meetings

RSC Analyticode Meeting

21 January 202621 January 2026 chris

The life sciences sector is undergoing a profound transformation. Advances in automation, next-generation analytical technologies, and computational chemistry are redefining how research is conducted, making

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Macinchem Blog meetings Reviews

Distillate Winter 2025-26

7 January 20267 January 2026 chris

The Royal Society of Chemistry Chemical Information Group (CICAG) produce a twice-yearly newsletter highlighting news, features and reports about cheminformatics, computational chemistry, chemical information and

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Data Analysis Tools Macinchem Blog meetings

RSC Analyticode

18 December 202518 December 2025 chris

An interesting meeting on Monday 16 March 2026 at Burlington House, London, UK The life sciences sector is undergoing a profound transformation. Advances inautomation, next-generation

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Macinchem Blog

BMCS-CICAG Hot Topics: Robotics and Automation

15 November 202415 November 2024 chris

The next online Hot Topics meeting is on Thursday 21st November, 2024 (afternoon). The role of laboratory automation in pharmaceutical research and development is continually

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Macinchem Blog

Feedback from 7th Artificial Intelligence in Chemistry Conference

22 October 202422 October 2024 chris

We have just got the results of the feedback from the 7th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry held at Churchill College in September.

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Macinchem Blog

RSC-BMCS and RSC-CICAG Hot Topics: Robotics and Automation 2024

31 August 202431 August 2024 chris

The next Hot Topics online meeting Thursday 21st November, 2024 (UK afternoon). The role of laboratory automation in pharmaceutical research and development is continually expanding,

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Macinchem Blog

RSC CICAG Summer 2024 Newsletter is out.

23 July 202423 July 2024 chris

Another fantastic edition, available on the CIICAG website https://rsccicag.org/index_htm_files/CICAG%20Newsletter%20Summer%202024%20FINAL.pdf ContentsChemical Information and Computer Applications Group Chair’s ReportRSC PrizesCICAG Committee Members Awarded RSC PrizesCICAG Planned and

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  • View post by on Bluesky

    @macinchem.bsky.social 2 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...
  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    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/
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    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/
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    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/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    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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