myPresto / MolDesk
A visually and intuitively operable molecular simulation system enabling efficient modeling calculations in a short time. Pre-installed on a GPU-equipped workstation, eliminating complex setup and allowing immediate use upon delivery.
※myPresto was developed under projects commissioned by the Ministry of Economy, Trade and Industry (METI) and NEDO for biomolecular structural analysis and protein structure-based drug discovery acceleration. It enables high-precision, high-efficiency simulations in significantly shorter timeframes than conventional methods.
myPresto5Official Website
OS | Ubuntu 20.04LTS |
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CPU | Xeon® Gold 6242R (3.1GHz, 20 cores, 35.75MB, 2933MHz) ×2 |
Memory | 64GB DDR4 SDRAM(2933MHz, ECC, Registered, 8GBx8) for dual processors |
HDD | 4TB SATA (7,200rpm) x4 |
GPU | NVIDIA® T400 4GB, NVIDIA® RTX A6000 (multiple GPU options available) |
Monitor | HP Z24f G3 FHD Professional LCD (23.8-inch, FHD) |
Power Supply | 1125W, 90% power efficiency |
Job Management System | Slurm(Simple Linux Utility for Resource Management) |
MPI Environment | MPICH, OpenMPI |
Compilers | oneAPI HPC, gcc, gfortran |
Remote Access | XRDP, X11VNC |
We offer tailored solutions based on research objectives, usage scenarios, and existing system compatibility, including MolSpace integration and further customizations.