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Elevate your research to new heights

With PSISTACK, streamline your COMPUTATIONAL CHEMISTRY workflow

  • Comprehensive Toolset: Access a diverse range of open-source tools, from quantum mechanics to molecular dynamics, all within one platform

  • Seamless One-minute Deployment: Break down IT barriers with effortless software deployment in just one minute.

  • Always Up-to-Date Solutions: Ensuring your computational chemistry software stack is constantly current.

  • On-Demand Efficiency: Streamlined software deployment via lazy loading ensures data and metadata transfer only as needed

  • Dynamic Multi-Version Support: Adapt to users' changing needs with support for a variety of software versions.

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PsiStack enables single-command installation and streamlined upgrades for: AmberMD, Gromacs, OpenMM, PLUMED, PYSCF, Psicode, github. It's compatible with CentOS-7, RockyLinux-8, Ubuntu-18.04, Ubuntu-20.04, Ubuntu-22.04. Forget the hassle of traditional setups, PsiStack is now available.

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WHAT CAN YOU ACCOMPLISH?

Comprehensive         Toolset
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Quick One Step                  Setup
Continuously Updated               Solutions
Safe Data Management
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Need Assistance? We're here to help.

Unsure what to get? Have technical questions?
Contact SP and we'll help you design a custom system which will meet your research needs.

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