(1) Added TeraChem support last week, meaning you can now run GPU-accelerated DFT calculations. (Read more about TeraChem + Rowan here.) (2) Rowan now has tautomer + conformer
Month: March 2024
Everyone’s favourite text editor has been updated, the release notes are here https://www.barebones.com/support/bbedit/current_notes.html BBEdit 15 requires Mac OS X 11.0 or later. For whichever version
An excellent brief introduction to PyMOL 3.0.
Project Jupyter is the winner of the White House OSTP “Technical Advancement to Enable Open Science” category. Open science relies on technical advancements and infrastructures
I just want to highlight the submission deadline for poster submission for the 7th Artificial Intelligence in Chemistry Symposium. The deadline is 3 May 2024,
This is a feature update (v10.0) to the ChemDoodle Web Components library. Additions
To all KNIME Analytics Platform users on macOS on Apple Silicon processors M1, M2, and M3: We were informed about a problem introduced by the
The latest Rowan newsletter highlights security. https://rowansci.substack.com/p/taking-security-seriously In particular, they have improved the internal security to protect data in submitted jobs. You can read more
Registration is open for the Molecular Simulation in Chemistry and in particular it is open for poster abstract submission. This is a great opportunity for
Registration for the 2024 RDKit UGM, being held from 11-13 September at the ETH in Zurich, Switzerland, is now open. https://www.eventbrite.com/e/13th-rdkit-ugm-2024-tickets-860637719587 The UGM will be