SMSD is a Java based software library for calculating MCS.
Chemical Equilibrium Diagrams
NMR relaxation dispersion spectroscopy analysis software
Maui is the Maltcms User Interface
Sample code for Ocean Optics OmniDriver spectrometer device driver
Lye calculator for soapmaking
Open-Source Cheminformatics and Machine Learning
Analyze food ingredients!
ConvertMAS converts Chemical File Formats mol, mol2 and sdf.
Calculates Hamaker coefficient,interaction free energy,force,torque.
Avalon Toolkit for SMILES-based cheminformatics services
3D Virtual Screening Viewer
BiMS (biclustering for mass spectrometry data) is a Java application d
A pipeline for quantitative proteomics based upon isobaric tags