I just noticed that the Compound Lookup extensions have been downloaded over 100 times (Safari + Chrome) and I’ve received some positive feedback.. I’m delighted
Author: chris
QupKake predicts micro-pKa values with GFN2-xTB plus graph neural networks. Its README targets Linux. On an Apple Silicon Mac the obvious routes all fail: This
Jeremy Tame recently mentioned a python script to produce clickable Ramachandran plots, code is available on GitHub https://github.com/JezTame/pymol-rama His website also describes several other useful
UK registered micro, small or medium sized enterprise (SMEs) can apply for a share of up to £3.1 million to deliver feasibility studies for frontier
Clustering is an invaluable cheminformatics technique for subdividing a typically large compound collection into small groups of similar compounds. One of the advantages is that
This a Google Chrome Extension, it allows you so select a drug name in a web page (for example), right-click and from the dropdown menu
This a Safari Extension, it allows you so select a drug name in a web page (for example), right-click and from the dropdown menu there
mlxmolkit is a GPU-accelerated molecular toolkit using MLX on Apple Silicon, it is a port of nvMolKit that uses Cuda. It now includes Area What
ChemDoodle 2D has been updated. The main focus is expanded support for inorganic compounds and complexes, including haptic bonds and multi-center attachments, their use in
There are a number of chemical drawing packages around that range from lightweight apps for providing structure input to database searches to large fully features