14 May 2024 – Macs in Chemistry

Amsterdam Modeling Suite 2024

14 May 202414 May 2024 chris

The Amsterdam Modeling Suite 2024 has just been released. The Amsterdam Modeling Suite is used by researchers in all areas of chemistry, materials science, and

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@macinchem.bsky.social 2 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/
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@macinchem.bsky.social 2 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...
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@macinchem.bsky.social 3 days

RSC CICAG Chemical Structure Representation

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. Registration...
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@macinchem.bsky.social 3 days

MOE now runs on macOS Tahoe!

Just got this message. We're happy to announce the release of macOS-native MOE 2024.0604 for macOS Tahoe, also compatible with Big Sur and later versions (minimum version 11.5). The...

https://macinchem.org/2026/03/09/moe-now-runs-on-macos-tahoe/
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@macinchem.bsky.social 7 days

I'm in London for the RSC BMCS committee meeting. Looking around Burlington House I'm reminded what a great venue this is for scientific meetings. The next one I'll be at is Analyticode 2006 on 16 March 2026 www.rsc.org/events/detai.... Still time to register.

Day: 14 May 2024

Amsterdam Modeling Suite 2024