Approximate solvation free energy calculator
Generation of molecular formulas by high-resolution MS and MS/MS data
Applications for data management
Theoretical Density, Orbital Relaxation and Exciton analysis
Python/xarray tutorial for GEOS-Chem users
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
A computational chemistry monitoring, parsing and plotting application
http://dx.doi.org/10.1002/jcc.22968
structural clustering of atomic trajectories based on PIV