NMR relaxation dispersion spectroscopy analysis software
An intuitive molecular editor and visualization tool
Dynamics of quantum systems, controlled by external fields
Analyze molecular simulation data
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
Molecular dynamics with aqueous-organic solvent mixtures
A Python based command line math utility.
BINANA (BINding ANAlyzer) is a python-implemented algorithm for analyz
A computational chemistry monitoring, parsing and plotting application
Create lipid-bilayer models of arbitrary geometry.
Comprehensive thermal analysis software package
Data Processing and Analysis for X-ray Spectroscopy and More
An extensible GUI for computational chemistry codes
Chemical Engineering process simulations program
Utilities for fast input of chemical formulae and equations.
A simple program for sharing molecular structures with associated data
Weighted Implementation of Suboptimal Paths (WISP)
Web based laboratory information management system
Open source codes related to dissipative particle dynamics