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Integrator

An amortized variational inference model to integrate diffraction data.

Installation

# Create a new environment using conda or micromamba
micromamba create -n integrator python=3.12 \

# Install DIALS and PyTorch using micromamba
micromamba install -c conda-forge dials pytorch

# Install uv
pip install uv

# install integrator
uv pip install -e ".[dev]"

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Proof of concept profile fitting and integration with neural nets

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