Open-Source Cheminformatics and Machine Learning
Periodic Table of Elements a quick reference tool
Molecular dynamics with aqueous-organic solvent mixtures
Graphic molecular dynamic package.
a mass spectrometry–based proteomics database search algorithm
An app used to find elements and their properties
A Python based command line math utility.
Proteomics MS/MS database search engine
Computes Accurate Fourier Transform via Explicit Integration not FFT
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.