I’ve been using the latest update to MOE from Chemical Computing Group for a while now and i thought I’d post a few impressions. The published new
Category: Science Apps
Finding scientific applications has always been a little hit and miss since there is no “science” category on the iTunes store. To help out I’ve created a database listing applications that I knew about
I’ve been using the latest update to MOE from Chemical Computing Group for a while now and i thought I’d post a few impressions. Perhaps the most
Some time ago I wrote a review of MOE the molecular modelling package from Chemical Computing Group, recently CCG announced and update and I thought it would be
MOE is a software system designed to support Cheminformatics, Molecular Modelling, Bioinformatics, Virtual Screening, Structure-based-design and can be used to build new applications based on
The Vienna Ab initio Simulation Package, better known as VASP, has been compiled on Apple Silicon. The instructions can be found on GitHub https://gist.github.com/janosh/a484f3842b600b60cd575440e99455c0 The
Available for download https://www.rbvi.ucsf.edu/chimerax/download.html Open the downloaded DMG file and drag ChimeraX to your Applications folder. Includes native versions for M2, M1 and Intel Macs.
Gephi 0.10.0 is here! Download it from https://gephi.org, now supports Apple Silicon, It loads much faster and complex operations such as layouts run smoother. Gephi is
pro Fit, a macOS application for curve fitting (linear and nonlinear regression), plotting, and data analysis for macOS. It runs natively on both Apple Silicon
LigandScout from inte:ligand is a software tool that allows to rapidly and transparently derive 3D pharmacophores from structural data of macromolecule/ligand complexes in a fully automated and
High-throughput screening (HTS) remains a cornerstone of drug discovery, but searching through the many thousands of potential hits remains a daunting process. One aspect of