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Hi,
Thanks so much for pulling this together. Really help to speed up the project.
I ran into following errors when trying to install the notebook requirements
%pip install -q -U -r notebook-requirements.txt
ERROR: pip's dependency resolver does not currently take into account all the packages that are installed. This behaviour is the source of the following dependency conflicts.
mkl-fft 1.3.8 requires mkl, which is not installed.
awscli 1.31.4 requires botocore==1.33.4, but you have botocore 1.27.89 which is incompatible.
awscli 1.31.4 requires s3transfer<0.9.0,>=0.8.0, but you have s3transfer 0.6.2 which is incompatible.
hdijupyterutils 0.21.0 requires pandas<2.0.0,>=0.17.1, but you have pandas 2.1.1 which is incompatible.
jsonschema 4.19.1 requires attrs>=22.2.0, but you have attrs 22.1.0 which is incompatible.
referencing 0.30.2 requires attrs>=22.2.0, but you have attrs 22.1.0 which is incompatible.
seaborn 0.13.0 requires matplotlib!=3.6.1,>=3.3, but you have matplotlib 3.6.1 which is incompatible.
sparkmagic 0.21.0 requires pandas<2.0.0,>=0.17.1, but you have pandas 2.1.1 which is incompatible.
yapf 0.40.1 requires importlib-metadata>=6.6.0, but you have importlib-metadata 4.13.0 which is incompatible.
Note: you may need to restart the kernel to use updated packages.
The RFDiffusion and ProteinMPNN seems to work fine but then ESMfold fails. The ESMfold job was submitted, but failed to complete. I am not sure if this is related to the errors mention above.
Could you please advise?
Thanks
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