chemical viewer
A software package for processing and analyzing chemical trajectories
Theoretical Density, Orbital Relaxation and Exciton analysis
Applications for data management
Approximate solvation free energy calculator
Generation of molecular formulas by high-resolution MS and MS/MS data
DIstortion Free Relaxation Analysis TEchnique (DIFRATE) software
Python/xarray tutorial for GEOS-Chem users
Software for simulation of slow motional EPR spectra in aligned media
OpenGrowth is a program which constructs de novo ligands for proteins.
Calculate Crystal Orbital Overlap Population for the CRYSTAL program
Physiology questions true-false, med-chem random cards to draw & Czech
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
Phase Sensitive Detection and Modulated Enhanced Diffraction Software
A computational chemistry monitoring, parsing and plotting application
This program generates the chemical formula from the given name.
http://dx.doi.org/10.1002/jcc.22968
structural clustering of atomic trajectories based on PIV
Converts chemical formulae into their correct notation.