mirror of
https://github.com/microsoft/foldingdiff.git
synced 2026-06-04 13:30:33 +08:00
17 lines
1.1 KiB
Markdown
17 lines
1.1 KiB
Markdown
# Singularity/amulet
|
|
|
|
To run on singularity/amulet, make sure you have already downloaded the CATH dataset (see instructions above). If you do not have amulet installed, folow the instructions at <https://amulet-docs.azurewebsites.net/main/setup.html>. This should leave you with a conda environment named `amlt8`. Note that this environment should be _separate_ from the environment for the diffusion model itself. Note that you do _not_ need to create the given `environment.yml` to submit to amulet/singularity; the environment for running the code is separately set up within the Singularity compute cluster.
|
|
|
|
With these two requirements, to run training on singularity, run:
|
|
|
|
```bash
|
|
conda activate amlt8 # Activate the conda env.
|
|
amlt run -y scripts/amlt.yaml -o results
|
|
```
|
|
|
|
Within this `amlt.yaml` file, the python command contains a pointer to a config json file. Edit the path indicated here to
|
|
use a different configuration for training.
|
|
|
|
Note rearding the structure of the `amlt.yaml` file: installing packages via conda is very slow on the Singularity cluster, so
|
|
we recreate the same set of packages installed via pip instead of relying on conda.
|