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Command Line tools updated

6 March 202415 March 2024 chris

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mlxmolkit updated

23 September 202623 September 2026 chris
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ChemDoodle Update

20 September 202620 September 2026 chris

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  • View post by on Bluesky

    @macinchem.bsky.social 1 day

    mlxmolkit updated

    mlxmolkit is a GPU-accelerated molecular toolkit using MLX on Apple Silicon, it is a port of nvMolKit that uses Cuda. It now includes AreaWhat it doesEntry pointConformersDrop-in for RDKit EmbedMolecules:...

    https://macinchem.org/2026/09/23/mlxmolkit-updated-2/
  • View post by on Bluesky

    @macinchem.bsky.social 4 days

    ChemDoodle Update

    ChemDoodle 2D has been updated. The main focus is expanded support for inorganic compounds and complexes, including haptic bonds and multi-center attachments, their use in formula and mass calculations,...

    https://macinchem.org/2026/09/20/chemdoodle-update/
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    AlvaSketcher

    There a number of chemical drawing packages around that range from lightweight apps for providing structure input to database searches to large fully features packages designed to provide publication...
  • View post by on Bluesky

    @macinchem.bsky.social 2 weeks

    dock-postprocess

    This looks very useful. dock-postprocess is an open-source structure-based drug design toolkit for standardizing docking results and carrying them through restrained OpenMM minimization, pose QC, protein-ligand...

    https://macinchem.org/2026/09/07/dock-postprocess/
  • View post by on Bluesky

    @macinchem.bsky.social 4 weeks

    Updated Mac mini and Mac Studio

    Apple have announced new Mac mini and Mac Studio machines. Mac mini has either M5 Pro chip or M6 chip M5 Pro 15‑core CPU with 5 super cores and 10 performance...

    https://macinchem.org/2026/08/26/updated-mac-mini-and-mac-studio/
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