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Rolos Platform: User Guide

Default virtual environments

By default, Rolos Platform provides you with the following pre-configured environment templates:

  • Base environment — an environment that uses only Python 3.8.
  • Base Julia environment — a base environment with the Julia programming language. See the documentation at the official site.
  • Base R environment — a base environment with the R programming language and environment. See the official site of R.
  • Chemoinformatics — an environment with Python 3.8, CUDA 11.7 drivers, and main tools and libraries for Chemoinformatics (RDkit, DeepChem, and others).
  • Density Functional Theory calculations — an environment with Python 3.8 and the Octopus scientific software. See the documentation at the Octopus official site.
  • Environment for nature landscape project — a Machine Learning environment for nature landscape project that uses Python 3.8 and CUDA 11.3 drivers.
  • Machine learning environment (PyTorch) — Machine Learning environment with Python 3.8, CUDA drivers, PyTorch, and most used packages for ML tasks.
  • Machine learning environment (Tensorflow) — Machine learning environment with Python 3.8, CUDA drivers, Tensorflow and most used packages for ML tasks.
  • Molecular dynamics (GROMACS)  — a free and open-source software suite for high-performance molecular dynamics and output analysis.
  • Atomic Scale Materials Modeling  — an environment with Python 3.8 and the The Vienna Ab initio Simulation Package (VASP) scientific software. See the documentation at the VASP official site.
  • Nature landscape — an environment with Python 3.8 and CUDA 11.3 drivers for nature landscape projects.
  • Protein modeling (RoseTTAFold) — an environment with the three-track RoseTTAFold neural network for accurate prediction of protein structures and interactions.
  • Quantum ML — an environment with packages for interaction with different Quantum frameworks (Google Quantum AI and DWave).

For the information about how to find out what packages are included into an environment, see Viewing the desk environment packages

Information If you did not find among the default virtual environment templates one that meet your project requirements, you can order a customized environment. Please contact our support to place an order. 

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