Lifematics Inc. ライフマティックス株式会社

MolSpace

myPresto / MolDesk

Intuitive Molecular Simulation System

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.

 

Key Features

  • Basic operations consist of [Selection] via mouse, [Execution] of commands, and [Confirmation] of results
  • Molecular editing, including addition, deletion, and substitution of atoms
  • Protein docking using diverse atomic groups in mol2 file format
  • Docking score index method included
  • Synthetic feasibility calculations for compounds
  • Atomic charge calculations based on quantum chemistry methods

※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

ハードウェアスペック

OS Ubuntu 20.04LTS
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

Customized Systems for Specific Research Needs

We offer tailored solutions based on research objectives, usage scenarios, and existing system compatibility, including MolSpace integration and further customizations.

CONTACT

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