a mass spectrometry–based proteomics database search algorithm
A Python based command line math utility.
ConvertMAS converts Chemical File Formats mol, mol2 and sdf.
ChemClipse Third Party Libraries
BINANA (BINding ANAlyzer) is a python-implemented algorithm for analyz
A computational chemistry monitoring, parsing and plotting application
gMol molecular graphics
Create lipid-bilayer models of arbitrary geometry.
Calculates Hamaker coefficient,interaction free energy,force,torque.
Metabolite identification via machine learning.
MolTPC provides a solution for fully automatic tautomer enumeration.
Avalon Toolkit for SMILES-based cheminformatics services