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Tag: CICAG

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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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Macinchem Blog

ChEMBL 15 Year Symposium 

25 June 2024 chris

I’m sure many people have used ChEMBL at some point or other and it is great to see a 15 year celebration. it is also

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Posts pagination

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  • View post by on Bluesky

    @macinchem.bsky.social 2 days

    OpenFold3-preview

    OpenFold3-preview is a biomolecular structure prediction model aiming to be a bitwise reproduction of DeepMind'sAlphaFold3, developed by the AlQuraishi Lab at Columbia University and the OpenFold consortium. This research...
  • View post by on Bluesky

    @macinchem.bsky.social 3 days

    SCORE MLX Distilled CheMeleon molecular fingerprints on Apple Silicon

    ChemeleonSMD distills the CheMeleon pretrained Directed Message Passing Neural Network (DMPNN) into a SCORE-style...

    https://macinchem.org/2026/03/14/score-mlx-distilled-chemeleon-molecular-fingerprints-on-apple-silicon/
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    PDB reaches a quarter of a million structures

    The Protein Data Bank is an invaluable resource for protein structural information. As well as being a resource used by structural biologists, medicinal chemists and...

    https://macinchem.org/2026/03/12/pdb-reaches-a-quarter-of-a-million-structures/
  • View post by on Bluesky

    @macinchem.bsky.social 6 days

    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 7 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...

Recent Posts

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  • SCORE MLX Distilled CheMeleon molecular fingerprints on Apple Silicon
  • PDB reaches a quarter of a million structures
  • mlxmolkit — GPU-accelerated molecular clustering on Apple Silicon
  • Molecular Docking with Open Access Software
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