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Macinchem Blog

Cambridge Cheminformatics Network Meeting

23 October 202423 October 2024 chris

The next Meeting: 13 November 2024, 4-5.30pm UK time, Hybrid (at the CCDC/via Zoom) full details here. Programme My Learnings From Starting Standigm, a Leading

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Macinchem Blog

Cambridge Cheminformatics Meeting 4 Sept 2024

26 August 2024 chris

You are cordially invited to our next Cambridge Cheminformatics Meeting (as well as all future ones), which we have run for 10+ years now, usually

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Macinchem Blog

Molecular Simulations in Chemistry Meeting

13 May 202413 May 2024 chris

There is still time to register for the RSC CICAG Molecular Simulations in Chemistry meeting 14 June 2024 09:30-17:00, Burlington House, London, United Kingdom. You

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Macinchem Blog

Cambridge Cheminformatics Network Meeting

23 April 202423 April 2024 chris

 The next Cambridge Cheminformatics Meeting – on 8 May 2024, 4pm UK time; Hybrid, at the CCDC and on Zoom! Full details are on the

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Macinchem Blog

The Development of the Chemist’s Notebook

12 February 202417 February 2024 chris

An interesting meeting organised by the RSC Historical Society, “The Development of the Chemist’s Notebook”, 13th March 2024, Burlington House, Piccadilly, London. Programme: 10.30 Coffee10.50 Welcome11.00 Michael

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Macinchem Blog

Cambridge Cheminformatics Network Meeting 21 Feb 2024

9 February 202410 February 2024 chris

Just thought I would mention that the 3 speakers for the next Cambridge Cheminformatics Network Meeting 21 Feb 2024 meeting have now been finalised so

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Macinchem Blog

Cambridge Cheminformatics Meeting

21 November 202321 November 2023 chris

6 December 2023, 4-5.30pm UK,free/open to all HYBRID (@CCDC/on Zoom) Details & Registration: http://www.C-INF.net

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Macinchem Blog

Cambridge Cheminformatics Network Meeting, 6 December 2023

25 October 202325 October 2023 chris

Programme Assessing Conformations of Small Molecules Against the Cambridge Structural Database Patrick McCabe, Cambridge Crystallographic Data Centre https://www.ccdc.cam.ac.uk/ SILVR: Guided Diffusion for Molecule Generation Nicholas

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Macinchem Blog Uncategorised

Next Cambridge Cheminformatics Network Meeting

20 October 202320 October 2023 chris

Due to building work at CCDC the date has changed, the meeting will now be 6 December 2023, 4-5.30pm UK time, Hybrid (at the CCDC/via

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  • View post by on Bluesky

    @macinchem.bsky.social 19 hours

    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 2 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 4 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 5 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 6 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

  • OpenFold3-preview
  • 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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