Downloads

PyRosetta is available for Intel-based Mac's (64-bit OS X v10.5+) and M1-arm64 Mac's as well as on Linux (64-bit Red Hat and 64-bit Ubuntu) platforms in continuous release versions (usually we have a fresh builds available daily). Running on Windows-10 (thought Unix layer) is are also supported. In order to run PyRosetta you will need to use Python-3.6 or later. If you would like to build PyRosetta from source please see relevant section in [Documentation]  page. 

Please use our forums for technical support and assistance or if you have any questions or problems with installing PyRosetta.

PyRosetta binaries is available in three different forms: (a) as Python packages, (b) Python-wheel packages and (c) as Conda packages. We also provide auxiliary pyrosetta-installer pip package to help install PyRosetta. Using pyrosetta-installer package is a recommended way to install PyRosetta.

PyRosetta Build Information

Release - Speed optimized build, use it for production runs.

MinSizeRel - Build optimized to reduce memory footprint. Use this build with low-memory systems.

Debug - Binaries compiled in debug mode with additional asserts enabled and with debug-info compiled-in. Use this build for debugging.

Python-x.x versions - PyRosetta build for specific Python version

Installing PyRosetta using pip and pyrosetta-installer package

Due to size of PyRosetta it is not a good a fit PyPI package however we provide special pyrosetta-installer package that have pyrosetta_install() function which should perform PyRosetta install for most of the supported platforms. To use this install method run:

pip install pyrosetta-installer 

python -c 'import pyrosetta_installer; pyrosetta_installer.install_pyrosetta()'

The install_pyrosetta function also takes few optional arguments:

• distributed=False - install PyRosetta with cxx11thread.serialization support and also install packages required for pyrosetta.distributed framework

• extras='' - directly supply dot separated list of of Rosetta C++ extras flags

• mirror=0 - mirror to use, default is to use west mirror

• serialization=False - install PyRosetta cxx11thread.serialization build

• silent=False - minimize log output during installation

• skip_if_installed=True - skip install if PyRosetta install detected

• type='Release' - PyRosetta build to install: Release, MinSizeRel

• use_setup_py_package=False - use PyRosetta setup.py package instead of wheel. Could be useful in cases when wheel install fails. Note that by default installer will fallback to use this option if an attempt to install a wheel fails.

For up-to-date list of supported options see https://pypi.org/project/pyrosetta-installer

Installing dependencies packages needed for PyRosetta Distributed framework

pip install pyrosetta-distributed 

For up-to-date list of supported options please see https://pypi.org/project/pyrosetta-distributed

Latest PyRosetta Versions, Python and Python-wheel Packages:

[US East coast mirror] [US West coast mirror]

Windows 10:  

PyRosetta-4 Linux build work natively thought Win10 Linux layer. For installation details please see: Instructions for Installing PyRosetta on Windows 10 

PyMOL-RosettaServer scripts

[PyMOL-RosettaServer.python2] [PyMOL-RosettaServer.python3]

[PyMOL-Rosetta-relay-client.python2][PyMOL-Rosetta-relay-client.python3]

RosettaCommons Conda Channel 

The RosettaCommons conda channel provides conda packages for each weekly releases. Currently PyRosetta.release packages for Python 3.6, 3.7, 3.8 and 3.9 provided for both Mac and Linux platforms. Note that when possible we intend to keep all released packages available (i.e old releases packages will not be deleted), so it should be safe to publish your results and use explicit PyRosetta version to ensure reproducibility. To use RosettaCommons channel edit your local ~/.condarc and add https://conda.graylab.jhu.edu into your channels list. Then run conda install pyrosetta (or conda install pyrosetta=<version> if you want to install specific version of PyRosetta).

Example ~/.condarc for WEST cost (if unsure use this mirror): 

channels: 

- https://conda.rosettacommons.org

- conda-forge

 Example ~/.condarc for EAST cost:

channels: 

- https://conda.graylab.jhu.edu

- conda-forge

Other PyRosetta builds

Our release archive: [full list of available releases] 

Installation Instructions

GNU/Linux and Mac OS X

    PyRosetta is distributed as a standard Python "distutils" package, which is compatible with most Python package management systems. (Though due to licensing issues, it is not available through pip.) There are two major ways to install PyRosetta: either into your standard system Python, or using a Python environment manager. Installation into the system Python is easier and makes PyRosetta available at all times, though it makes upgrading PyRosetta more difficult and may require administrator access. Using an environment manager is more flexible and permits installation as a normal (non-admin) user, but requires more effort in understanding the system. 

    In addition to standard 'setup.py' package we provide Python wheel packages (use '.wheel' download links). Wheel package significantly reduce install time but requires `pip` to be present on your system. To install PyRosetta from wheel use `pip install pyrosetta-<version>.whl` command.

System-wide install (using system Python):

• 1. Download the appropriate version of PyRosetta from the links above.

  2. Unpack the downloaded file to the location of your choice to create the PyRosetta directory.

  3. (From a terminal/console window, you can unpack the archive using the command: tar -vjxf PyRosetta-<version>.tar.bz2. 

  4. 
     

     • For 'python' package from within the new PyRosetta directory, type cd setup && sudo python setup.py install into the command line to set up the PyRosetta.

     • For wheel package (recommended ) do: pip install <path-to-wheel-package>

  5. Start Python.

  6. In Python, you should be able to import the PyRosetta library with the command import pyrosetta; pyrosetta.init().

  7. (If this step does not produce a complaint or error, your installation has been successful.)

• • Once you've installed PyRosetta, the downloaded PyRosetta archive file and the associated directory from steps 2 and 3 are no longer needed.

Installation with an environment manager:

Before beginning, be sure that your desired environment manager (e.g. conda or virtualenv) is installed in your system. Please see tutorials for the corresponding environment manager to learn how to install and use them.

• 1. Download the appropriate version of PyRosetta from the links above.

  2. Using the environment manager, create a new environment for this version of PyRosetta. (conda; virtualenv)

  3. (The corresponding version of Python should be the only dependency required.)

  4. Activate the new environment.

  5. Unpack the downloaded file to the location of your choice to create the PyRosetta directory.

  6. (From a terminal/console window, you can unpack the archive using the command: tar -vjxf PyRosetta-<version>.tar.bz2. 

  7. From within the new PyRosetta directory, type cd setup && python setup.py install into the command line to set up the PyRosetta.

  8. Start Python.

  9. In Python, you should be able to import the PyRosetta library with the command import pyrosetta; pyrosetta.init().

  10. (If this step does not produce a complaint or error, your installation has been successful.)

• • Once you've installed PyRosetta, the downloaded PyRosetta archive file and the associated directory from steps 2 and 5 are no longer needed.

  • If you installed PyRosetta within an environment manager, remember to re-activate the corresponding PyRosetta environment each time you wish to use PyRosetta.

Windows

• 1. Follow the [Instructions for Installing PyRosetta on Windows 10]