diff --git a/scripts/amlt.yaml b/scripts/amlt.yaml index fb2a3fa..4585ac1 100644 --- a/scripts/amlt.yaml +++ b/scripts/amlt.yaml @@ -1,4 +1,4 @@ -description: Initial full run of CATH dataset +description: CATH canonical angles only with linear warmup target: service: sing # Target service platform @@ -25,7 +25,7 @@ environment: # https://singularitydocs.azurewebsites.net/docs/container_images/ - pip install transformers==4.11.3 # https://huggingface.co/docs/transformers/installation - pip install pytorch-lightning==1.6.4 # https://www.pytorchlightning.ai/ - pip install sequence-models # https://github.com/microsoft/protein-sequence-models - - pip install biopython + - pip install biopython==1.79 code: local_dir: $CONFIG_DIR/.. # elative to config file directory @@ -37,4 +37,4 @@ jobs: sla_tier: premium command: - tar -xzf data/cath/cath-dataset-nonredundant-S40.pdb.tgz -C data/cath - - python bin/train.py config_jsons/full_run_canonical.json -o $$AMLT_OUTPUT_DIR/results \ No newline at end of file + - python bin/train.py config_jsons/full_run_canonical_angles_only.json -o $$AMLT_OUTPUT_DIR/results \ No newline at end of file