A Raman spectra library with search and storage function.
Applications for data management
An Open Source "product catalogue" that is customizable and versatile.
Open source electronic lab notebook (ELN) for scientists
GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4
Predicting Organic Reactions using Neural Networks.
SMSD is a Java based software library for calculating MCS.
Simple colored and interactive Periodic Table of Elements
A user-extensible Freemat based 1DGC and GCxGC data analysis software.
LC-MS/MS data browser designed for siderophore analysis
Isotope assisted discovery of metal chelating agents from LC-MS data
a mass spectrometry–based proteomics database search algorithm
An app used to find elements and their properties
Rediscover the Simplicity http://www.atgclabs.com/
Proteomics MS/MS database search engine
A pipeline for quantitative proteomics based upon isobaric tags
Web based Open Source laboratory information management system (LIMS)
Parallelized calculation of molecular similarities