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refactor: rf3 lab

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ncorley
2025-09-29 16:44:02 -07:00
parent b5c9685c73
commit ac17c5f3c8
2 changed files with 18 additions and 2 deletions
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2
configs/inference_engine/rf3.yaml
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@@ -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

18
src/modelhub/inference_engines/rf3.py
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@@ -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