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chore: sync BEST_PRACTICE and best_model after merge (mean_rmsd 2.350750).

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demian3b
2026-04-17 10:42:44 +09:00
parent 2a9f08d218
commit 3124c12ad0
1 changed files with 4 additions and 4 deletions
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BEST_PRACTICE.json
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@@ -1,9 +1,9 @@
{
"best_mean_rmsd_100": 2.461592385172844,
"best_mean_rmsd_100": 2.3507495498657227,
"num_runs": 100,
"timestamp_utc": "2026-04-16T08:43:15.797310+00:00",
"command": "train.py --sdf /data/demian_dev/toy/sample.sdf --model-type gcn --epochs 140 --batch-size 96 --num-workers 8 --prefetch-factor 8 --hidden 512 --gcn-layers 8 --accum 2 --time-power 1.0 --weight-center 0.8 --weight-omega 2.0 --weight-torsion 3.0 --grad-clip 0.8 --lr 0.001 --seed 1 --eval-runs 100 --out-dir /tmp/ai_rfm_try_h_seed1",
"timestamp_utc": "2026-04-17T01:29:09.183572+00:00",
"command": "train.py --sdf /data/demian_dev/toy/sample.sdf --model-type gcn --hidden 512 --gcn-layers 8 --epochs 280 --batch-size 24 --lr 7e-4 --seed 1 --eval-runs 100 --gcn-residual --rotation-loss geodesic --loss-domain displacement --weight-center 0.8 --weight-omega 2.0 --weight-torsion 3.0 --grad-clip 0.8 --num-workers 4 --prefetch-factor 4 --out-dir /data/demian_dev/toy/ai_rfm/rfm_out_noema_geodesic_res280",
"notes": "Auto-updated by pre-commit from reports/latest_eval.json.",
"updated_by_commit": "pending",
"best_train_mse": 5.079975128173828
"best_train_mse": 7.664132118225098
}