This guide demonstrates how to use Sergey's ColabFold notebooks on Cold Spring Harbor's Elzar cluster. The instructions can also be extended to any cluster that has a GPU and Singularity installed.
These instructions were only tested with Jakub Kaczmarzyk's AlphaFold2_advanced_notcolab.ipynb
notebook,
which is a minor modification of Sergey's original AlphaFold2_advanced.ipynb
notebook. Even Amber relaxation
is tested.
❗❗❗IMPORTANT: after finishing your work, be sure to terminate the GPU process. To do this, you can shutdown the jupyter notebook (this is not equivalent to closing the tab, you need to go to Kernel->Shutdown). And quit the singularity process as well. Exit the qrsh
job when you are finished.