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- .gitignore +0 -2
- local_train.py +19 -4
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/meta.yaml +14 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/metrics/step_grad_norm +40 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/metrics/step_lr +40 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/metrics/step_train_loss +40 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/T_0 +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/T_mult +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/batch_size +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/clip +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/data_path +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/dry_run +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/epochs +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/esm_model_name +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/gamma_neg +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/gamma_pos +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/lora_rank +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/lr +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/max_grad_norm +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/min_lr +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/mlflow_dir +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/num_workers +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/output_dir +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/resume_checkpoint +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/params/use_lora +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/tags/mlflow.runName +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/tags/mlflow.source.name +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/tags/mlflow.source.type +1 -0
- mlruns/0/1be8998988564fabbfdfd7e655ab4927/tags/mlflow.user +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/meta.yaml +14 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/avg_grad_norm +3 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/best_val_loss +3 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/epoch_time +3 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/lr +3 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/step_grad_norm +1134 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/step_lr +1134 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/step_train_loss +1134 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/train_loss +3 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/val_loss +3 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/T_0 +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/T_mult +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/batch_size +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/clip +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/data_path +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/dry_run +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/epochs +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/esm_model_name +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/gamma_neg +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/gamma_pos +1 -0
- mlruns/0/220298565d124d33a6d58513ace1acc0/params/lora_rank +1 -0
.gitignore
CHANGED
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@@ -22,7 +22,5 @@ venv.bak/
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.idea/
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# Large files
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-
*.pth
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-
*.ckpt
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# Output directories
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.idea/
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# Large files
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# Output directories
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local_train.py
CHANGED
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@@ -6,6 +6,9 @@ import argparse
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def main():
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parser = argparse.ArgumentParser(description="Local training launcher for Taxon-aware ESM2")
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parser.add_argument("--dry_run", action="store_true", help="Run a quick dry run to verify pipeline")
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args = parser.parse_args()
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@@ -31,14 +34,14 @@ def main():
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cmd = [
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sys.executable, "train.py",
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"--data_path", DATASET_DIR,
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-
"--epochs",
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"--batch_size", "32",
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-
"--lr", "
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-
"--min_lr", "
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"--num_workers", "10", # 0 for local windows debugging usually safer
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| 39 |
"--esm_model_name", "facebook/esm2_t33_650M_UR50D",
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"--use_lora", "True",
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| 41 |
-
"--lora_rank", "
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# Asymmetric Loss defaults
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"--gamma_neg", "4",
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"--gamma_pos", "0",
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@@ -51,6 +54,18 @@ def main():
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"--mlflow_dir", os.path.join(ROOT_DIR, "mlruns")
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]
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if args.dry_run:
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cmd.append("--dry_run")
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| 6 |
def main():
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| 7 |
parser = argparse.ArgumentParser(description="Local training launcher for Taxon-aware ESM2")
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| 8 |
parser.add_argument("--dry_run", action="store_true", help="Run a quick dry run to verify pipeline")
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+
parser.add_argument("--resume", action="store_true", help="Attempt to resume from latest_model.pth")
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| 10 |
+
parser.add_argument("--skip_eval", action="store_true", help="Skip GPU evaluation")
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+
parser.add_argument("--epochs", type=int, default=20, help="Number of epochs to train")
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args = parser.parse_args()
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cmd = [
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sys.executable, "train.py",
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"--data_path", DATASET_DIR,
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+
"--epochs", str(args.epochs),
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"--batch_size", "32",
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+
"--lr", "1e-4",
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+
"--min_lr", "1e-5",
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| 41 |
"--num_workers", "10", # 0 for local windows debugging usually safer
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| 42 |
"--esm_model_name", "facebook/esm2_t33_650M_UR50D",
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"--use_lora", "True",
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+
"--lora_rank", "512",
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| 45 |
# Asymmetric Loss defaults
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"--gamma_neg", "4",
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"--gamma_pos", "0",
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"--mlflow_dir", os.path.join(ROOT_DIR, "mlruns")
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| 55 |
]
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+
# Auto-Resume Logic
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+
if args.resume:
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+
checkpoint_path = os.path.join(ROOT_DIR, "outputs", "latest_model.pth")
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| 60 |
+
if os.path.exists(checkpoint_path):
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+
print(f"Auto-resume: Found checkpoint at {checkpoint_path}")
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+
cmd.extend(["--resume_checkpoint", checkpoint_path])
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+
else:
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| 64 |
+
print(f"Warning: --resume flag set but no checkpoint found at {checkpoint_path}. Starting fresh.")
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+
if args.skip_eval:
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+
cmd.append("--skip_eval")
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+
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if args.dry_run:
|
| 70 |
cmd.append("--dry_run")
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| 71 |
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mlruns/0/1be8998988564fabbfdfd7e655ab4927/meta.yaml
ADDED
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@@ -0,0 +1,14 @@
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+
artifact_uri: file:///workspace/Smilesjs_ta-ESM2/mlruns/0/1be8998988564fabbfdfd7e655ab4927/artifacts
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| 2 |
+
end_time: null
|
| 3 |
+
entry_point_name: ''
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| 4 |
+
experiment_id: '0'
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| 5 |
+
lifecycle_stage: active
|
| 6 |
+
run_id: 1be8998988564fabbfdfd7e655ab4927
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| 7 |
+
run_name: dapper-kite-803
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| 8 |
+
source_name: ''
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| 9 |
+
source_type: 4
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| 10 |
+
source_version: ''
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| 11 |
+
start_time: 1768803410510
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| 12 |
+
status: 1
|
| 13 |
+
tags: []
|
| 14 |
+
user_id: root
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mlruns/0/1be8998988564fabbfdfd7e655ab4927/metrics/step_grad_norm
ADDED
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1768803429980 inf 7576
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1768803478398 14.5227689743042 7606
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1768803543020 15.972854614257812 7646
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1768803575360 14.498150825500488 7666
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1768803817850 15.821868896484375 7816
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1768803834019 14.367403030395508 7826
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1768803850174 35.34846878051758 7836
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1768803866347 15.305449485778809 7846
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mlruns/0/1be8998988564fabbfdfd7e655ab4927/metrics/step_lr
ADDED
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1768804060348 0.0001 7966
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mlruns/0/1be8998988564fabbfdfd7e655ab4927/metrics/step_train_loss
ADDED
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| 1 |
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1768781263176 21.233211517333984 80
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|
mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/step_lr
ADDED
|
@@ -0,0 +1,1134 @@
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mlruns/0/220298565d124d33a6d58513ace1acc0/metrics/step_train_loss
ADDED
|
@@ -0,0 +1,1134 @@
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| 1 |
+
1768781150593 1634.608154296875 10
|
| 2 |
+
1768781166598 1361.4066162109375 20
|
| 3 |
+
1768781182629 984.808837890625 30
|
| 4 |
+
1768781198719 549.4830322265625 40
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| 5 |
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1768781214856 278.6632385253906 50
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| 6 |
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1768781230954 136.70419311523438 60
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| 7 |
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1768781247073 71.83845520019531 70
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| 8 |
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1768781263176 46.117034912109375 80
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| 9 |
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1768781279320 43.38948059082031 90
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| 10 |
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1768781295424 41.11585998535156 100
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| 11 |
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1768781311566 36.807952880859375 110
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| 12 |
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1768781327716 43.60517883300781 120
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| 13 |
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1768781343814 37.98714828491211 130
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| 14 |
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1768781359958 41.831966400146484 140
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| 15 |
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1768781376076 38.998268127441406 150
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| 16 |
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1768781392198 45.46452331542969 160
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| 17 |
+
1768781408329 41.26652145385742 170
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| 18 |
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1768781424462 45.10107421875 180
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| 19 |
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1768781440639 45.67192077636719 190
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| 20 |
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1768781456791 62.34058380126953 200
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| 21 |
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1768781472959 40.53907012939453 210
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| 22 |
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1768781489120 48.93563461303711 220
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| 23 |
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1768781505271 38.071250915527344 230
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| 24 |
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1768781521410 41.345069885253906 240
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| 25 |
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1768781537556 40.64289093017578 250
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| 26 |
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1768781553699 42.785579681396484 260
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| 27 |
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1768781569836 40.52295684814453 270
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| 28 |
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1768781585955 48.98335266113281 280
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| 29 |
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1768781602062 44.13323211669922 290
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| 30 |
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1768781618196 41.13729476928711 300
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| 31 |
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1768781634340 43.32463455200195 310
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| 32 |
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1768781650453 47.34280014038086 320
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| 33 |
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1768781666591 56.68838119506836 330
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| 34 |
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1768781682720 41.2465934753418 340
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| 35 |
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1768781698869 41.324337005615234 350
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| 36 |
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1768781715027 38.9598274230957 360
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| 37 |
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1768781731186 50.41704177856445 370
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| 38 |
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1768781747340 45.430267333984375 380
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| 39 |
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1768781763504 50.802490234375 390
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| 40 |
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1768781779611 43.569732666015625 400
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| 41 |
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1768781795740 34.20476531982422 410
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| 42 |
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1768781811907 47.68806457519531 420
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| 43 |
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1768781828036 46.675758361816406 430
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| 44 |
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1768781844158 47.42802429199219 440
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| 45 |
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1768781860291 52.408103942871094 450
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| 46 |
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1768781876438 39.739341735839844 460
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| 47 |
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| 48 |
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1768781908711 39.50043487548828 480
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| 49 |
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1768781924850 41.10285949707031 490
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| 50 |
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1768781940952 40.954063415527344 500
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| 51 |
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ADDED
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@@ -0,0 +1 @@
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| 1 |
+
facebook/esm2_t33_650M_UR50D
|
mlruns/0/220298565d124d33a6d58513ace1acc0/params/gamma_neg
ADDED
|
@@ -0,0 +1 @@
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|
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|
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| 1 |
+
4.0
|
mlruns/0/220298565d124d33a6d58513ace1acc0/params/gamma_pos
ADDED
|
@@ -0,0 +1 @@
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|
|
|
|
|
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| 1 |
+
0.0
|
mlruns/0/220298565d124d33a6d58513ace1acc0/params/lora_rank
ADDED
|
@@ -0,0 +1 @@
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| 1 |
+
512
|