Chemistream Logo
0.60.0
  • Introduction
  • Underlying Projects and Packages
  • Installing Chemistream
  • Setting-up Chemistream
  • HPC Cloud Images Available from Tech-X
  • Tutorials/Demos
  • Complex Remote P3HT Workflow Example
  • Chemistream Base API documentation
  • Release Notes
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Welcome to Chemistream’s documentation!

Full release available soon

_images/logo-chemistream-new.png

Table of Contents

  • Introduction
    • Overview
    • Design
    • Remote Cluster Setup
  • Underlying Projects and Packages
    • Makalii
    • STREAMM
    • External links
  • Installing Chemistream
    • Mac OSX
    • Linux
    • Windows
    • Docker Desktop
  • Setting-up Chemistream
    • Initializing Chemistream
    • Amazon Web Services (AWS) Account Setup
    • Azure Account Setup
    • Local Setup
    • Private Clusters
  • HPC Cloud Images Available from Tech-X
    • Base CS
    • CS + Alfabet
    • CS + GROMACS
    • CS + LAMMPS-multi-AWSEMMD
    • CS + LAMMPS-multi
    • CS + NWChem-multi
    • CS + NWChem+DDEC6-multi
    • CS + NWChem+LAMMPS-multi
    • CS + QMCPack-multi
    • CS + Dalton-multi
    • CS + rDock
    • CS + RLMolecule
    • CS + GraphEnv
    • CS + SPPARKS-multi-ALD
    • CS + SPPARKS-multi
    • CS + Tensorflow
    • CS + Tensorflow-GPU
  • Tutorials/Demos
    • Setup Remote HPC cluster with Chemistream app
    • Turnkey Simulation Workflows
    • Advanced Simulation Workflows
    • Compute Session Jupyterlab Tips
    • Coming Soon
  • Complex Remote P3HT Workflow Example
    • Calculate Electronic Coupling Between P3HT molecules in a thin-film
  • Chemistream Base API documentation
    • Chemistream Analysis
    • Chemistream Workflow
    • Chemistream RDKitBase
  • Release Notes
    • Version 0.60.0
    • Version 0.20.0
    • Version 0.12.1
    • Version 0.9.12
    • Version 0.9.10
    • Version 0.9.8
    • Version 0.9.1

Indices and tables

  • Index

  • Module Index

  • Search Page

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