1-SOFTWARE

Computational Chemistry and Docking

*GAUSSIAN
*QUANTUM ESPRESSO
*GROMACS
*VASP
*ORCA
*AUTO DOCK VINA
*PYRX

2-RESOURCES

*55 CPU (MAX) + 120 GB RAM (FEYNMAN GRID)
*48 CPU (MAX) + 50 GB RAM (CLOUD)
*CUDA-ENABLED GPU ENVIRONMENT