Open Baldwin-disso opened 1 year ago
Is it possible to have both ESMFold and ESM-IF working using the same conda environnement ?
I read on the inverse folding page that it should be a separated environnement, but is there a way to do this ?
Here is how I attempted to do this
conda env create -f environment.yml conda activate esmfold # install esmfold pip install "fair-esm[esmfold]" # OpenFold and its remaining dependency pip install 'dllogger @ git+https://github.com/NVIDIA/dllogger.git' pip install 'openfold @ git+https://github.com/aqlaboratory/openfold.git@4b41059694619831a7db195b7e0988fc4ff3a307' # install pytorch geometric and so on pip install pyg_lib torch_scatter torch_sparse torch_cluster torch_spline_conv -f https://data.pyg.org/whl/torch-1.12.1+cu113.html pip install torch-geometric # install biotite pip install biotite
It almost seems to work except for the case where inverse folding is run on cuda indeed.
Is it possible to have both ESMFold and ESM-IF working using the same conda environnement ?
I read on the inverse folding page that it should be a separated environnement, but is there a way to do this ?
Here is how I attempted to do this
It almost seems to work except for the case where inverse folding is run on cuda indeed.