Setup ESMFold on aarch64

esmfold_aarch64.md

Conda Environment and Package Setup for ESMFold

1. Create and Activate Conda Environment

conda create -n esm2 python=3.10
conda activate esm2

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3. Install OpenFold from GitHub

pip install 'openfold @ git+https://github.com/sokrypton/openfold.git'

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4. Install PyTorch and Related Libraries (CUDA 12.4)

pip install torch==2.4.0 --index-url https://download.pytorch.org/whl/cu124

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5. (Optional) Test Torch Installation in Python

python
# import torch
# torch.cuda.is_available()
# True (hopefully)

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7. (Optional) Reinstall OpenFold if Needed

pip install 'openfold @ git+https://github.com/sokrypton/openfold.git'

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8. Install Jupyter Kernel Support

conda install ipykernel
python -m ipykernel install --user --name esm2 --display-name "Python (esm2)"

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9. Install Additional Packages

pip install "fair-esm[esmfold]"
pip install modelcif
pip install --upgrade deepspeed
pip install biotite