A code primarily aimed at DNA and RNA coarse-grained simulations
Time-dependent simulation of open and closed quantum systems
Joint Density Functional Theory
Generation of molecular formulas by high-resolution MS and MS/MS data
Theoretical Density, Orbital Relaxation and Exciton analysis
General purpose de novo molecular design software
Spectroscopy Viewer
A library to easily analyse output of the Heidelberg MCTDH code
Modern library for chemistry file reading and writing
generates nice period table from given data
An intuitive molecular editor and visualization tool
C++ code for object-oriented formulation of scientific experiments
Open-Source Cheminformatics and Machine Learning
Comprehensive thermal analysis software package
Open source codes related to dissipative particle dynamics
A universal chemistry database system, using Java and any rdbms
Calculates frequencies/modes from an nwchem generated hessian