pdbbind_full: add finetuning_optimized_config.json

models/finetuned/pdbbind_full/finetuning_optimized_config.json

@@ -0,0 +1,24 @@
+{
+  "dataset_meta_csv": "data/finetuning_datasets/regression/pdbbind_full/pdbbind_full.csv",
+  "dataset_embs_npz": "data/finetuning_datasets/regression/pdbbind_full/pdbbind_full_embs.npz",
+  "model_path": "HUBioDataLab/SELFormer",
+  "tokenizer_path": "HUBioDataLab/SELFormer",
+  "pretrained_multimodal_dir": "data/models/SELFormerMM",
+  "task_type": "regression",
+  "label_column": "-logKd/Ki",
+  "num_labels": 1,
+  "use_scaffold": 0,
+  "seed": 3407,
+  "train_frac": 0.8,
+  "val_frac": 0.1,
+  "test_frac": 0.1,
+  "batch_size": 32,
+  "max_len": 128,
+  "epochs": 50,
+  "backbone_lr": 1e-05,
+  "head_lr": 1e-06,
+  "weight_decay": 0.001,
+  "checkpoint_every": 0,
+  "test_eval_every": 1,
+  "save_best_val": 1
+}