Another example of vibe-coded chemistry software. We present VIBE-QC, a general-purpose open-source electronic-structure code for molecules and solids, developed almost entirely through generative-AI-assisted programming (“vibe-coding”)
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iChemLabs have just announced a version 8 of ChemDoodle 3D software. This update is free for all ChemDoodle subscriptions, Lifetime and Site licenses. Licenses are
I recently published two Compound Lookup extensions for Safari and Chrome both of which have been downloaded over 100 times. They allow you so select
The next Cambridge Cheminformatics Network Meeting is 11 November 2026, 4pm UK time at Cambridge Crystallographic Data Centre, Cambridge, UK and Online (Hybrid Mode)
A reader recently highlighted ChemDraft (https://chemdraft.ai). A lightweight, open-source (Apache-2.0) chemical drawing app for macOS and Windows. It is built around local files and a
I’m seeing an increasing number of useful utilities being developed using AI coding tools NISPO NISPO is an open-source, RDKit-based Python package for generating IUPAC
Burette is a macOS desktop app and Quick Look extension for molecular previews: Mol* 3D, xyzrender SVG, and RDKit grids. There is a review of
Avogadro is an advanced open source molecular editor and visualization tool. Download and installation instructions are here https://avogadro.cc/install/index.html
On October 14th the OpenBind Blind Challenge was launched, the target is the Zika virus NS2B-NS3 protease. This challenge focuses on predicting how small molecules
In 2020 as a result of lockdown I was asked to help create a course for MRes students as an introduction to computer-aided drug design