View, manipulate, analyze (LS fit, SVD, FT), and make figs of, spectra
molecular editor and viewer
Software for Introductory Chemical Engineering Thermodynamics
controls high-temperature single-crystal XRD experiments using IPDSII
GUI for MOPAC, DFTB+, GAMESS, Firefly, NWChem, ORCA and PSI4
Simple colored and interactive Periodic Table of Elements
Simulation of EPR spectra of nitroxide biradicals
LC-MS/MS data browser designed for siderophore analysis
A Modular Python Toolbox for Cross-Platform Post-Processing of Quantum
Open-Source Cheminformatics and Machine Learning
BINANA (BINding ANAlyzer) is a python-implemented algorithm for analyz
Calculates Hamaker coefficient,interaction free energy,force,torque.
nwbas2ecce converts nwchem basis set files to the ECCE format
A Free and Open Source Electronic Lab Notebook based on WordPress