Simulate chemical processes using advanced thermodynamic models
data analysis and Visualization with matplotlib
Chemical structures database & machine learning with web services API
Open-source online virtual screening tools for large databases
Analysis of Raman spectra and spectroscopy data.
An Open Source "product catalogue" that is customizable and versatile.
Visualization of wavefunctions calculated by VASP (New release: v0.41)
user-friendly access to the latest computational spectroscopy tools
MALDI-TOF data analysis tool
a Toolset for Molecular Mechanical Force Field Parameterization
A biochemical property prediction system
Collaborative Computing Project for NMR (CCPN)
Comparative analysis of open source in silico fragmentation tools
An intuitive molecular editor and visualization tool