PyRosetta4 (Global Interpreter Lock) Disabled

PyRosetta4 wheel local compiled, enabling true parallel execution and significantly runtime reduction vs GIL-ON in multiple CPU cores. This version has the latest beta_jan25 scores integrated.

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Overview

This is a custom build of PyRosetta4 compiled from the latest Rosetta source with the Global Interpreter Lock (GIL) disabled. Unlike latest official builds from graylab , this version allows multiple threads to execute Python code simultaneously, taking full advantage of multi-core CPUs. No pyrosetta orignal functions, scores etc has been touched.

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Why No-GIL?

• ✅ True multi-threading: Multiple threads execute Python code in parallel
• ✅ Better CPU utilization: Leverage all available CPU cores
• ✅ Faster parallel workflows: - Ideal for binder design pipelines like BindCraft or others that require PyRosetta.

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Requirements/Tested

• Python: 3.14+ with free-threading enabled
• Hardware: Multi-core CPU (24 cores tested)
• OS: Ubuntu 25.04 Linux
• Kernel: 6.18.7-061807-generic

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Installation

1. Download

Download the wheel from Release Link

• SHA256SUMS

190e85c6dbfc4c6b7d01807fbae12f25dd0c1f923230afb8c746bd5157c8ee68

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2. Install Python 3.14 free-threaded and create venv:

uv python install 3.14t
uv venv --python 3.14t .venv-314t
source .venv-314t/bin/activate

python - <<'PY'
import sys, sysconfig
print(sys.version)
print('GIL enabled:', sys._is_gil_enabled())
print('Py_GIL_DISABLED:', sysconfig.get_config_var('Py_GIL_DISABLED'))
PY

2. Install the wheel directly:

pip install ./pyrosetta-2026.6+release.e5a76a2dbd.nogil-cp314-cp314t-linux_x86_64.whl

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License

PyRosetta is distributed under the Rosetta license. See RosettaCommons licensing for details.