Installation

Requirements

  • Python ≥ 3.10

  • PyTorch ≥ 2.4

  • NumPy ≥ 2.0

  • Gemmi ≥ 0.5

  • reciprocalspaceship ≥ 0.9.18

  • SciPy ≥ 1.10

  • Pandas ≥ 2.0

  • Numba ≥ 0.59

  • Matplotlib ≥ 3.7

Installing via pip

Installing from Source

Clone the repository and install with pip:

git clone https://github.com/your-org/torchref.git
cd torchref
pip install -e .

For development, install with additional dependencies:

pip install -e ".[dev]"

This includes testing tools (pytest), code formatting (black, isort), and linting (flake8).

Verifying Installation

After installation, verify that TorchRef is correctly installed:

import torchref
print(torchref.__version__)

GPU Support

TorchRef supports GPU acceleration if PyTorch is installed with CUDA support. To verify GPU availability:

import torch
print(f"CUDA available: {torch.cuda.is_available()}")
print(f"CUDA device: {torch.cuda.get_device_name(0) if torch.cuda.is_available() else 'N/A'}")