Molecular dynamics by NMR data analysis
Generation of molecular formulas by high-resolution MS and MS/MS data
Print Steam Tables; Plot diagrams and cycles from equations of state
Generador de coordenadas atómicas de nanotubos armchair
Program for molecular graphics
ECTk - The electrochemical tool kit
Massively parallel software for quantum chemistry calculations
PySCeS is the Python Simulator of Cellular Systems
Generating cells for electronic structure calculations from CIF files
A fast and versatile molecular dynamics program
Simulation of EPR spectra of nitroxide biradicals
PYthon eXtension for Ab Initio Dynamics
A Python based command line math utility.
Create lipid-bilayer models of arbitrary geometry.
Metabolite identification via machine learning.
MolTPC provides a solution for fully automatic tautomer enumeration.
Command-line, PubChem PUG client, written in Python
Weighted Implementation of Suboptimal Paths (WISP)
Balance chemical reaction and compute material balance
Parallelized calculation of molecular similarities