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Implemented seed argument for reproducibility (redo) #71

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Implemented seed argument for reproducibility (redo) #71

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d87244e
Added seed argument to base yaml
nzrandol Jun 13, 2023
dacae25
Seed argument now affects make_deterministic
nzrandol Jun 13, 2023
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4 changes: 4 additions & 0 deletions config/inference/base.yaml
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Original file line number Diff line number Diff line change
Expand Up @@ -17,7 +17,11 @@ inference:
align_motif: True
symmetric_self_cond: True
final_step: 1

# If deterministic == False, seed is ignored.
deterministic: False
seed: 0

trb_save_ckpt_path: null
schedule_directory_path: null
model_directory_path: null
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4 changes: 2 additions & 2 deletions scripts/run_inference.py
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Expand Up @@ -39,7 +39,7 @@ def make_deterministic(seed=0):
def main(conf: HydraConfig) -> None:
log = logging.getLogger(__name__)
if conf.inference.deterministic:
make_deterministic()
make_deterministic(conf.inference.seed)

# Check for available GPU and print result of check
if torch.cuda.is_available():
Expand Down Expand Up @@ -70,7 +70,7 @@ def main(conf: HydraConfig) -> None:

for i_des in range(design_startnum, design_startnum + sampler.inf_conf.num_designs):
if conf.inference.deterministic:
make_deterministic(i_des)
make_deterministic(conf.inference.seed + i_des)

start_time = time.time()
out_prefix = f"{sampler.inf_conf.output_prefix}_{i_des}"
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