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M4 Mac mini teardown

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M4 Mac mini teardown

13 November 202413 November 2024 chris

iFixit provide a detailed disassembly of the new Mac mini, highlighting upgrade options.

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Macinchem Blog Other Tips Science Apps

OpenFold3-preview

15 March 202615 March 2026 chris

Data Analysis Tools Macinchem Blog

SCORE MLX Distilled CheMeleon molecular fingerprints on Apple Silicon

14 March 202614 March 2026 chris

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@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/
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@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/
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@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/
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@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...
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@macinchem.bsky.social 6 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...

Last updated 10 minutes ago

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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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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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