AlvaDesc v3.0.0 has been updated, it has a few new features but for Mac users it is now fully compatible with Apple Silicon!!
- 133 New Molecular Descriptors.
- Structural Pattern Calculation: Use SMARTS syntax to identify molecular patterns.
- 3D Coordinates Calculations: Offering 3D descriptors calculation even for SMILES molecules.
- ECFPV3 Fingerprint: Faster fingerprint calculation.
- macOS Apple Silicon Compatibility: Now fully supported on CPUs like M2.
- Enhanced Integration for KNIME and Python.
AlvaDesc is the next-generation tool designed for the seamless calculation of a range of 6000 molecular descriptors, molecular fingerprints, and user-defined structural patterns. Featuring a simple, intuitive user interface, alvaDesc makes it easy to calculate and analyze molecular data.
It is provided both as an easy to use command line tool and as an intuitive graphical interface.
There are a couple of useful videos https://www.youtube.com/watch?v=zm-9_Sl2I6Y, and Molecular Descriptors Generation with alvaDesc: https://www.youtube.com/watch?v=tw0Y9ikOsrY.