Nathan Brown posted an interesting snippet on LinkedIn I vibe-coded a chemistry app last weekend. It started as a curiosity, but it’s turned out to
Category: Macinchem Blog
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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”)
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
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