EPSRC UK National Service for Computational Chemistry Software
Software
Full list of software in alphabetical order
- ABINIT
- ACES
- ADF
- BAND
- AKIRA
- AMBER
- AutoDock
- CASTEP
- ChemShell
- CP2K
- CPMD
- CRYSTAL
- Dalton
- DL_POLY 2 & 3
- DL_POLY Classic
- DL_POLY_4
- GAMESS-UK
- GAMESS-US
- Gaussian
- GROMACS
- GULP
- Jaguar
- MacroModel
- MOLCAS
- MOLPRO
- NAMD
- NWChem
- ORCA
- Quantum-ESPRESSO
- SIESTA
- TURBOMOLE
Click here for a list of runscripts for the software packages below, and also the runscripts for accessing the graphical visualisers & modellers and utility tools.