This opportunity provides an open and flexible route to computational support for high quality projects across the entire UK Research and Innovation (UKRI) remit. Details
Category: Uncategorised
In a previous post I illustrated how to download PubChem and create a local searchable database using a Jupyter notebook. I also included a vortex/python
Mychem is a chemoinformatics extension for MySQL that provides a set of functions that handles chemical data stored in a database. Mychem is based on
The latest (6th) Cache challenge has been released. The target is SETDB1 Participants are asked to find molecules occupying one or multiple subcavities of the
This weeks WWDC gave details of upgrades to the various operating systems. Great to see the calculator make it to the iPad at last, the
An excellent brief introduction to PyMOL 3.0.
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,
I have a large collection of structural databases, these range from vendor catalogues, to copies of various tranches of Zinc to copies of all proteins
A previous post described Getting Ligand ID for multiple PDB files, using the PDBe API (https://www.ebi.ac.uk/pdbe/pdbe-services). The result is a csv file containing the ligand
I’m sure everyone is aware the Apple Vision Pro is about to be released, out of curiosity anyone planning any scientific apps using the Vision