MolView – SMILES Preview is a Visual Studio Code extension that renders SMILES (Simplified Molecular Input Line Entry System) strings as molecular structure diagrams on
Month: January 2026
A while back I wrote a post on the problems with maintaining scientific software, this seemed to strike a chord and I got a lot
At least on a Mac the default place to store Vortex scripts is in the vortex folder ~/vortex/scripts Any folder/scripts you put in the vortex/scripts
Interesting post from ChEMBL team. We are excited to announce the start of the LIGAND-AI project, a 5-year project involving 18 partners to find ligands
There was an interesting publication from the Todd group at UCL on Chemrxiv “Idler Compounds: A Simple Protocol for Openly Sharing Fridge Contents for Cross-Screening”
The life sciences sector is undergoing a profound transformation. Advances in automation, next-generation analytical technologies, and computational chemistry are redefining how research is conducted, making
LigandExtractor can be used to find all ligands in a file from the PDB. In addition to finding all possible ligands, it annotates any problems
Next up Date: 5 February 2026 Lecture Theatre, Jeffrey Cheah Biomedical Centre, Puddicombe Way, Cambridge CB2 0AW. No need to register in advance – just
The Royal Society of Chemistry Chemical Information Group (CICAG) produce a twice-yearly newsletter highlighting news, features and reports about cheminformatics, computational chemistry, chemical information and
This morning I tried to print something to my HP LaserJet Pro printer and got an error. A quick search of the HP website suggested