alvaBuilder v1.0.10: alvaDesc v2.0.16: alvaModel v2.0.8: alvaMolecule v2.0.6: alvaRunner v2.0.8:
Category: Macinchem Blog
The blog for the website
A new production release of UCSF Chimera (version 1.17) is available: https://www.rbvi.ucsf.edu/chimera/download.html Updating to 1.17 is required to continue to use the following tools: BLAST
In a recent post Pat Walters highlighted the use of molfeat in a google colab notebook https://colab.research.google.com/github/PatWalters/practicalcheminformaticstutorials/blob/main/mlmodels/QSARin8lines.ipynb. I thought I’d also mention other tools available from
Codon is a high-performance Python compiler that compiles Python code to native machine code without any runtime overhead. Typical speedups over Python are on the
In a blog post Autodesk announced an update to AutoCAD with support for Apple Silicon https://blogs.autodesk.com/autocad/autocad-2024-mac/ >For the first time, AutoCAD for Mac 2024 and
The RCSB Protein Data Bank is an absolutely invaluable resource that provides archive-information about the 3D shapes of proteins, nucleic acids, and complex assemblies that helps scientists
The 2018.01 release of Chemical Computing Group’s Molecular Operating Environment (MOE) software includes a number of new features, enhancements and changes. Mac OSX 10.6 and Windows XP
Just spotted a very interesting paper “Fast calculation of hydrogen-bond strengths and free energy of hydration of small molecules” DOI. Jazzy is a Python library that
Thursday 20th April 2023 / 9:00 AM – 17:00 PM / Wellcome Genome Campus, Hinxton, Cambridgeshire The Spring UKQSAR & Cheminformatics Group Meeting will be
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