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Tag: artificial intelligence

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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

Apply to lead a strategic research lab dedicated to fundamental artificial intelligence (AI) development. 

2 March 20262 March 2026 chris

This looks like an amazing opportunity. Apply to lead a strategic research lab dedicated to advancing the UK’s position in fundamental  artificial intelligence (AI) development.

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Macinchem Blog

New national computing resources to open doors for researchers

27 February 202627 February 2026 chris

UK Research and Innovation (UKRI) has announced a £76 million investment to launch four new national compute resources (NCRs). The funding covers both equipment and

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Macinchem Blog meetings

AI Club for Biomedicine

19 February 202619 February 2026 chris

Well it was standing room only at the last nights Cambridge Cheminformatics Network meeting Co-folding special. Many thanks to all the speakers I’m sorry we

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Macinchem Blog meetings

Cambridge Cheminformatics meeting

14 February 202614 February 2026 chris

Just a reminder the next Cambridge Cheminformatics meeting is on 18 February 2026, 4-5.30pm UK time, Hybrid (at the CCDC on Union Road, Cambridge/via Zoom)

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Hints and Tutorials Jupyter Notebook Macinchem Blog Uncategorised Vortex Scripts

PROTAC-Splitter: A Machine Learning Framework for Automated Identification of PROTAC Substructures

11 February 202614 February 2026 chris

PROteolysis TArgeting Chimeras (PROTACs) technology provides an alternative to module biological function by specially using the ubiquitin proteasome system to induce degradation of the target

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Macinchem Blog Other Tips

Xcode 26.3 unlocks the power of agentic coding

4 February 20264 February 2026 chris

Agents are all the rage in AI/ML at the moment so it is no surprise that Apple have updated Xcode. Developers can leverage coding agents,

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Macinchem Blog

Supporting LIGAND-AI’s search for ligands for understudied targets

27 January 202627 January 2026 chris

Interesting post from ChEMBL team. We are excited to announce the start of the LIGAND-AI project, a 5-year project involving 18 partners to find ligands

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Macinchem Blog

AI Club for Biomedicine

16 January 202616 January 2026 chris

Next up Date: 5 February 2026 Lecture Theatre, Jeffrey Cheah Biomedical Centre, Puddicombe Way, Cambridge CB2 0AW. No need to register in advance – just

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Data Analysis Tools Macinchem Blog

AI for Science Datasets: Request for Proposals

11 December 202511 December 2025 chris

Renaissance Philanthropy is releasing this call for AI for Science dataset proposals in collaboration with the UK’s Department for Science, Innovation and Technology (DSIT). This

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  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Quick Look Doctor

    In the review of Burette a Quick Look extension for chemical filetypes I wrote:- There are issues with this system, the same file type e.g. .sdf can be opened...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Raymol, Molecular visualisation for Mac, Ipad, iPhone

    One of the advantages of Apple Silicon is we are starting to see applications that take advantage of the new hardware. Raymol is a free Metal-based...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    ProLIF updated

    ProLIF (Protein-Ligand Interaction Fingerprints) is a tool designed to generate interaction fingerprints for complexes made of ligands, protein, DNA or RNA molecules extracted from molecular dynamics trajectories, docking...

    https://macinchem.org/2026/07/29/prolif-updated/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    The website for RSC CICAG Quantum Computing in Chemistry: Current Capabilities and the Road to Utility at Burlington House, London, UK on 19th November has been updated. Includes links for abstract submission, registration and bursaries. registrations.hg3conferences.co.uk/hg3/frontend...
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    Review of Burrete

    How often have you found a structure file on your desktop and wondered what it contained? You could open it in the relevant software application but one of the...
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