This is very cool. Clipboard-to-SMILES Converter (C2SC), is a macOS application that directly converts molecular structures from the clipboard. The app focuses on seamlessly converting
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I was just looking at the fabulous lineup of speakers for the Molecular Simulations in Chemistry Meeting on 14th June 2024 at Burlington House, London,
The 7th RSC-CICAG / RSC-BMCS Artificial Intelligence in Chemistry conference will take place from Monday-Wednesday, 16th – 18th September 2024 at Churchill College, Cambridge, UK.
Whilst shape-based complementarity between a ligand and the protein active site are critical for high affinity binding there are very few high performance methods. This
Still time to register, great lineup of speakers. https://www.rscbmcs.org/events/conformationaldesign24/
This is the first version following transition of the codebase to GitHub, https://github.com/IUPAC-InChI/InChI/releases The change log is available here https://github.com/IUPAC-InChI/InChI/blob/v1.07-beta.3/INCHI-1-DOC/CHANGELOG.md Note they are proposing a
Everyone’s favourite text editor has been updated BBEdit. Full details of the release notes are available here
An interesting meeting organised by the RSC Historical Society, “The Development of the Chemist’s Notebook”, 13th March 2024, Burlington House, Piccadilly, London. Programme: 10.30 Coffee10.50 Welcome11.00 Michael
The Chemical Structure Association (CSA) Trust is an internationally recognized organization established to promote the critical importance of chemical information to advances in chemical research.
Another tutorial from Greg Landrum, focussing on how to take advantage of modern multithreaded CPUs. https://greglandrum.github.io/rdkit-blog/posts/2024-02-11-more-multithreading.html Looking at Generating fingerprints, Molecular standardization, Conformer generation, RMSD