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CONTRIBUTIONS.md

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We welcome community contributions to help make this package better!

Contributing

to be written

Testing

Improving test coverage and automating the process is high priority but not done yet. For now, to test:

  1. Ensure you are testing in a clean environment - we use micromamba for this
micromamba create -n esm
micromamba activate esm
micromamba install -c conda-forge python=3.10

# in root level of repo
pip install -e .
pip install examples/requirements.txt
python -c 'from huggingface_hub import login; login()'


# Ensure package can correctly interact with forge.
# This will require an API key from forge.evolutionaryscale.ai
ESM_API_KEY=$ESM_API_KEY PYTHONPATH='.' python cookbook/snippets/esm3.py
  1. Ensure the following scripts run without errors. Most have a pip install command installing the published esm package - comment this out so your release candidate version is tested and not the already published version.
ESM_API_KEY=$ESM_API_KEY PYTHONPATH='.' python cookbook/snippets/esm3.py
pip install treon
treon cookbook/tutorials/1_esmprotein.ipynb
treon cookbook/tutorials/2_embed.ipynb
treon cookbook/tutorials/3_gfp_design.ipynb
treon cookbook/tutorials/4_forge_generate.ipynb

# requires a GPU
python cookbook/snippets/esm3.py
python cookbook/snippets/esmc.py
python cookbook/local/raw_forwards.py