WCCS is currrently powered by:
- Computer Server:
- Ubuntu 20.04 LTS OS
- MSI MPG B850 motherboard
- AMD Ryzen9, 5900X (12 core/24 thread) @ 3.7 GHz (4.8 GHz max boost)
- Cooled by Kraken X63 Liquid cooler
- 64 Gb Ram
- EVGA (NVidia) RTX 3080 (8704 cuda cores, 10 Gb ram)
- Fractal Define7 Compact performance case
- Graphics Station:
- Windows 10/Ubuntu 20.04 dual boot
- HP Z230 Workstation
- Intel Xeon E3-1241 (4 core/8 thread) @ 3.5 Ghz
- 16 Gb Ram
- Nvidia Quadro K2200 (640 cuda cores, 4 Gb ram, 3D capable (BenQ 120Hz monitor))
- Nividia 3D Vision, hardware stereo, active glasses
- Software:
- Openeye Scientific Software Applications and Tookits (www.eyesopen.com)
- Molecular Operating Environment (MOE) from Chemical Computing Group (www.chemcomp.com)
- Gromacs
- OpenMM/OpenFF and other open source software
- VMD/NAMD
- Knime
- Microsoft Office
- Python 2/3
- and much more