Hardware

  • GPU Cluster (ECHO-140)  

              Master : Dual Xeon ( 128GB RAM, 6TB HDD )

              Compute : 28 nodes ( i7, 16GB RAM, GTX 970) 

  • General Purpose Cluster (FOX-141)  

              Master : i7 (32GB RAM, 6TB HDD)

              Compute :  25 nodes (AMD, 8GB RAM)

  • Backup Servers

             GOM-142: 12T HDD (Ubuntu)

             HONEY-143: 12T HDD (Windows 7)

            JADU-145 : 12T HDD  (NAS)

 

 

Software

SWPurposeInfo
MOPAC 2016Quantum Chemistry
APBS(1.4.1)Electrostatic Potential Energy
AMBER-14MD simulation
AutoDock-vinaDocking
Dragon 6Chemoinformatics, Dersriptor Calculation
GAMESSQuantum Chemistry
GROMACS 5.1MD simulationGPU
Gaussian 09 A.02Quantum Chemistry
Modeller 9.15Homology Modelling
Molgen 5.01Chemoinformatics, Molecule Enumeration
NAMD 2.10MD simulation
Openbabel (2.3.1)Chemoinformatics
RDKIT (2015.03.01)Chemoinformatics
iChemitChemoinformaticsIn-House
iQSARChemoinformatics, QSARIn-House