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338 Database entries




Ratings:    2  votes

TeraChem

TeraChem is general purpose quantum chemistry software designed to run on NVIDIA GPU architectures under a 64-bit Linux operating system.


Ratings:    4  votes

Materials_Studio

Materials Studio offers user-friendly access to a complete range of computational materials science methods.


Ratings:    1  votes

GROMOS

GROMOS is a general-purpose molecular dynamics computer simulation package for the study of biomolecular systems.


Ratings:    3  votes

ChemShell

Interfaces to a variety of QM and MM codes, including GAMESS-UK,MNDO, TURBOMOLE, GAUSSIAN, Molpro, Orca, NWChem, DMol3, DL_POLY, CHARMM, GULP, GROMOS


Ratings:    0  votes

Amber

"Amber" refers to two things: a set of molecular mechanical force fields for the simulation of biomolecules (which are in the public domain, and are used in a variety of simulation programs); and a package of molecular simulation programs which includes source code and demos.


Ratings:    0  votes

YASARA

YASARA is a molecular-graphics, -modeling and -simulation program.


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