CoMSEF

Directories and overviews

• Cross-listed directory of software, hardware, and sources from NIH

Software sources

• Etomica, user-friendly software for creating Java implementations of molecular-simulation models and their graphical display using pulldown menus
• Computational chemistry by grid computing: Computational Science and Engineering Online (CSE-Online) - See "Software Links"
• OCTA mesoscale modeling software (the Doi Project)
• CAChe molecular modeling software, CAChe Group, Fujitsu
• CCP software library for molecular dynamics, Monte Carlo, lattice statics, and lattice dynamics
• ChemFinder WebServer, free from CambridgeSoft
• Chime, free Netscape plugin viewer from MDL Information Systems and a RasMol info page
• COSMOlogic: COSMOtherm, a program for fluid thermodynamics based on quantum chemical calculations
• CPC International Program Library, available by subscription or purchase
• Gaussian 98 quantum chemistry software
• GAMESS computational and visualization software for quantum chemistry, GAMESS-UK, and PC GAMESS
• Online semi-empirical calculations using GAMESS, interface and computation by CambridgeSoft
• LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator, Sandia National Lab
• MOLCAD software
• Molden visualization software
• MSI (Accelrys) computational chemistry software, including free WebLab Viewer
• NWChem parallel quantum-chemistry and visualization software
• PSI 2.0 quantum-chemistry program package from Univ. Georgia's Center for Computational Quantum Chemistry
• Quantum Chemistry Program Exchange, Indiana University
• POLYRATE variational transition-state software and solvation software, most with fee-free licenses from U. Minnesota
• Spartan packages for Unix and PowerMacintosh
• XMol, free molecule viewing software from MSCI