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Year: 2026

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Macinchem Blog

September Meetings

11 May 202611 May 2026 chris

If you are coming to the 9th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry meeting in Cambridge 2-4 September 2026. You might also be interested

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Macinchem Blog

OpenBind’s First Data and Model Release

7 May 20267 May 2026 chris

Lack of data has hampered the building of models to accurately predict binding affinity so I’m sure everyone is super excited to see the first

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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

nanoFold a Protein Folding Data-Efficiency Competition

29 April 202629 April 2026 chris

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

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Macinchem Blog Science Apps

PyChem-Pro

27 April 202627 April 2026 chris

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 visualization (like

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Macinchem Blog Science Apps Spectroscopy

Sweet J on Mac App Store

25 April 202625 April 2026 chris

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

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Macinchem Blog

AI Discovery Awards

24 April 202624 April 2026 chris

AI Discovery by Nebius is an annual awards for startups that are leveraging AI to revolutionize drug discovery, biotechnology, genomics and HealthTech.. Details are here https://nebius.com/ai-discovery-award Submission deadline is April 30

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Macinchem Blog

Innovate UK Venture Builder Pilot Expression of Interest

24 April 202624 April 2026 chris

An interesting potential funding opportunity Innovate UK is funding up to £150,000 for a pilot Innovate UK Venture Builder Programme to support new deep-tech spin-outs

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Jupyter Notebook Macinchem Blog Science Apps

Generation of MedChem-similar Molecules

17 April 202617 April 2026 chris

A recent paper on ChemRxiv https://chemrxiv.org/doi/10.26434/chemrxiv-2025-9c1v6 describes ANNalog a transformer-based sequence-to-sequence generative model trained on pairs of molecules extracted from the same bioactivity assay in

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Macinchem Blog meetings

A few upcoming meetings that may be of interest

15 April 202615 April 2026 chris

Cambridge Cheminformatics Meeting Cambridge Cheminformatics Meeting, 22 April 2026 *** AI Agents for Omics *** Chemical Space Docking for Billion-Sized Libraries *** Quantum Chemistry for

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Posts pagination

Previous 1 2 3 … 8 Next

  • View post by on Bluesky

    @macinchem.bsky.social 5 hours

    ChemDoodle 2D v12.11 Update Available

    Version 12.11.0 is a feature update for ChemDoodle 2D. Major features include a function to generate text descriptions of figures, a fully native file chooser, improved MRV file...

    https://macinchem.org/2026/06/19/chemdoodle-2d-v12-11-update-available/
  • View post by on Bluesky

    @macinchem.bsky.social 1 day

    molar_vis — a modern molecular viewer in pure Rust

    There are a number of molecular visualisation tools available (many are now showing their age), but this looks an interesting addition A...
  • View post by on Bluesky

    @macinchem.bsky.social 5 days

    UCSF ChimeraX version 1.12 has been released

    The latest upsdate of the popular Biomolecular visualisation tool ChimeraX has been releasded https://www.rbvi.ucsf.edu/chimerax/download.html This update includes -...

    https://macinchem.org/2026/06/14/ucsf-chimerax-version-1-12-has-been-released/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    PyChem-Pro

    I just stumbled across this when looking for something else. It looks very interesting A pure-Python desktop application and library for chemistry and cheminformatics — molecular visualization, SMILES parsing,...

    https://macinchem.org/2026/06/11/pychem-pro-2/
  • View post by on Bluesky

    @macinchem.bsky.social 1 week

    MOE update and window management

    For a long time the computational chemistry and molecular modelling package MOE from Chemical Computing Group has required XQuartz to provide the windowing environment. With the introduction...

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  • ChemDoodle 2D v12.11 Update Available
  • molar_vis — a modern molecular viewer in pure Rust
  • UCSF ChimeraX version 1.12 has been released
  • PyChem-Pro
  • MOE update and window management
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