28 March 2024 – Macs in Chemistry

PyMOL 3.0 New Features

28 March 202428 March 2024 chris

An excellent brief introduction to PyMOL 3.0.

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@macinchem.bsky.social 2 days

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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@macinchem.bsky.social 2 days

AI Discovery Awards

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...

https://macinchem.org/2026/04/24/ai-discovery-awards/
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@macinchem.bsky.social 2 days

Innovate UK Venture Builder Pilot Expression of Interest

An interesting potential funding opportunity Innovate UK is funding up to £150,000 for a pilot Innovate UK Venture Builder Programme to support...

https://macinchem.org/2026/04/24/innovate-uk-venture-builder-pilot-expression-of-interest/
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@macinchem.bsky.social 1 week

Generation of MedChem-similar Molecules

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...

https://macinchem.org/2026/04/17/generation-of-medchem-similar-molecules/
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@macinchem.bsky.social 2 weeks

A few upcoming meetings that may be of interest

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

https://macinchem.org/2026/04/15/a-few-upcoming-meetings-that-may-be-of-interest/

Day: 28 March 2024

PyMOL 3.0 New Features