Andrea Pellegrini's Projects
My personal repository
Geometries of the ACONFL benchmark set
A benchmark set for large (up to 266 atoms) supramolecular complexes with heavy main group elements
A benchmark set for non-covalent interaction energies of very large structures (up to 2000 atoms)
My Rice Setup
simplify and optimize their pruning and optimizing workflow of an ensemble of conformers
Simple tool to convert Varian/Agilent FID files to .wav and .csv.
Lab Scripts that help with the work-flow
Telegram Bot that allows you to play Mau Mau (UNO) via inline queries
Program to predict molecular ion peaks formula by systematically sampling an heuristically defined chemical space. Interfaced with NIST mass spectral library to confront results with empirical spectras.
Source Code for (some of) the Programming Tutorials of my Italian YouTube Channel, for the Blog of my website programmareinpython.it. This is just a small portion of the content, please visit the YouTube channel and The Website for more!