Andrea Pellegrini's repositories
andre-cloud
My personal repository
benchmark-ACONFL
Geometries of the ACONFL benchmark set
benchmark-HS13L
A benchmark set for large (up to 266 atoms) supramolecular complexes with heavy main group elements
benchmark-LNCI16
A benchmark set for non-covalent interaction energies of very large structures (up to 2000 atoms)
dotfiles
My Rice Setup
Ensemble_Analyser
simplify and optimize their pruning and optimizing workflow of an ensemble of conformers
fid-to-wav-1
Simple tool to convert Varian/Agilent FID files to .wav and .csv.
labscripts
Lab Scripts that help with the work-flow
mau_mau_bot
Telegram Bot that allows you to play Mau Mau (UNO) via inline queries
MS_Blackjack
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.
YouTube-Scripts--Italian
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!