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spetti / SMURF

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Could you provide an environment.yml file? #4

Open arikat opened 1 year ago

arikat commented 1 year ago

Hi all,

Wanted to give this a try for improving AlphaFold MSAs on my proteins of interest, but having trouble getting the tutorials to run due to differences in package dependencies.

Could you kindly provide an environment.yml file so I may replicate the same dependencies used to run on GPU? Using NVIDIA CUDA12.0, currently.

arikat commented 1 year ago

For reference, here is the environment.yml we generated (weren't able to get the GPU version working). Using a Dell Precision 7920 workstation with an NVIDIA A5000 GPU, 64GB DDR4, and Ubuntu 22.04 environment.txt

spetti commented 1 year ago

Here is the environment we used- it may be outdated with current versions of cuda and jax. alphafold_new_yml.txt