diff --git a/configs/inference_engine/rf3.yaml b/configs/inference_engine/rf3.yaml index 24e8d2f..fc3d2da 100644 --- a/configs/inference_engine/rf3.yaml +++ b/configs/inference_engine/rf3.yaml @@ -6,7 +6,7 @@ defaults: _target_: modelhub.inference_engines.rf3.RF3InferenceEngine -ckpt_path: rf3_latest.pt +ckpt_path: /software/containers/versions/modelhub_inference/ckpts/rf3_latest.ckpt # Transform arguments n_recycles: 10 diff --git a/src/modelhub/inference_engines/rf3.py b/src/modelhub/inference_engines/rf3.py index 28cf344..fca5f31 100644 --- a/src/modelhub/inference_engines/rf3.py +++ b/src/modelhub/inference_engines/rf3.py @@ -171,7 +171,23 @@ class RF3InferenceEngine(InferenceEngine): "not_atomized": 1e-5, # No noise (TODO: Make configurable) }, "allowed_chain_types_for_conditioning": None, # Avoid random conditioning - "protein_msa_dirs": [], # To be consistent with installing on non-IPD clusters + "protein_msa_dirs": [ + { + "dir": "/projects/msa/hhblits", + "extension": ".a3m.gz", + "directory_depth": 2, + }, + { + "dir": "/projects/msa/mmseqs_gpu", + "extension": ".a3m.gz", + "directory_depth": 2, + }, + { + "dir": "/projects/msa/lab", + "extension": ".a3m.gz", + "directory_depth": 2, + }, + ], # To be consistent with installing on non-IPD clusters "rna_msa_dirs": [], # To be consistent with installing on non-IPD clusters "p_give_polymer_ref_conf": 0.0, # Never randomly give ground truth conformers "p_give_non_polymer_ref_conf": 0.0, # Never randomly give ground truth conformers