Calculates the voltage across a liquid junction between two solutions
Joint Density Functional Theory
Applications for data management
Quantum dynamics of chain-like systems using tensor train formats
Generation of molecular formulas by high-resolution MS and MS/MS data
Program for molecular graphics
Theoretical Density, Orbital Relaxation and Exciton analysis
View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
Easy manipulation of sdf molecular data files.
ECTk - The electrochemical tool kit
Massively parallel software for quantum chemistry calculations
PySCeS is the Python Simulator of Cellular Systems
Large-scale Atomic/Molecular Massively Parallel Simulator
molecular editor and viewer
Toxicity prediction for chemical compounds
General purpose de novo molecular design software
chemical viewer
An Open Source "product catalogue" that is customizable and versatile.