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Macinchem Blog

Conformational Design in Drug Discovery 2024 Conference

20 February 202420 February 2024 chris

Still time to register, great lineup of speakers. https://www.rscbmcs.org/events/conformationaldesign24/

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STOUT V2.0: SMILES to IUPAC name conversion using transformer models

31 December 202431 December 2024 chris
Macinchem Blog Science Apps

ChimeraX updated

16 December 202416 December 2024 chris

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Chris Swain Follow

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Avatar Chris Swain @macinchem ·
13 Jan

If you use Votex from @dotmatics, you might be interested in the scripts section I've written https://macinchem.org/category/vortex-scripts/

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Avatar Chris Swain @macinchem ·
31 Dec

SMILES to IUPAC names https://macinchem.org/2024/12/31/stout-v2-0-smiles-to-iupac-name-conversion-using-transformer-models/

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Avatar Chris Swain @macinchem ·
28 Dec

ChEMBL 35 is out. https://www.cambridgemedchemconsulting.com/news/index_files/0e1c35d07d72091fe4df705af337b312-569.html

Reply on Twitter 1873079829123481628 Retweet on Twitter 1873079829123481628 1 Like on Twitter 1873079829123481628 6 Twitter 1873079829123481628
Avatar Chris Swain @macinchem ·
16 Dec

ChimeraX updated https://macinchem.org/2024/12/16/chimerax-updated-2/

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