Update model - Task: default

AttrMaskMolecularEncoder.pt

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+version https://git-lfs.github.com/spec/v1
+oid sha256:4d39ad8aa21358df26e042ccbed38e1c1af67052e4be47131e6ebe887ed53d80
+size 14545469

README.md

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+---
+tags:
+- torch_molecule
+library_name: torch_molecule
+---
+
+# AttrMaskMolecularEncoder Model
+
+## Model Description
+- **Model Type**: AttrMaskMolecularEncoder
+- **Framework**: torch_molecule
+- **Last Updated**: 2025-07-28
+
+## Task Summary
+| Task | Version | Last Updated | Parameters | Metrics |
+|------|---------|--------------|------------|----------|
+| default | 0.0.1 | 2025-07-28 | 3,594,425 |  |
+
+
+## Usage
+
+```python
+from torch_molecule import AttrMaskMolecularEncoder
+
+# Load model for specific task
+model = AttrMaskMolecularEncoder()
+model.load(
+    "local_model_dir/AttrMaskMolecularEncoder.pt",
+    repo="Do1Yun/TorchMoleculeEncoderRepo"
+)
+
+# For predictor: Make predictions
+# predictions = model.predict(smiles_list)
+# For generator: Make generations
+# generations = model.generate(n_samples)
+# For encoder: Make encodings
+# encodings = model.encode(smiles_list)
+```
+
+## Tasks Details
+
+
+### default Task
+- **Current Version**: 0.0.1
+- **Last Updated**: 2025-07-28
+- **Parameters**: 3,594,425
+- **Configuration**:
+```python
+{
+  "mask_num": 0,
+  "mask_rate": 0.15,
+  "encoder_type": "gin-virtual",
+  "readout": "sum",
+  "num_layer": 5,
+  "hidden_size": 300,
+  "drop_ratio": 0.5,
+  "norm_layer": "batch_norm",
+  "batch_size": 128,
+  "epochs": 500,
+  "learning_rate": 0.001,
+  "weight_decay": 0.0,
+  "grad_clip_value": null,
+  "use_lr_scheduler": false,
+  "scheduler_factor": 0.5,
+  "scheduler_patience": 5,
+  "fitting_epoch": 499,
+  "device": {
+    "_type": "unknown",
+    "repr": "cuda:0"
+  },
+  "verbose": false,
+  "model_name": "AttrMaskMolecularEncoder"
+}
+```

config.json

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+{
+  "model_name": "AttrMaskMolecularEncoder",
+  "framework": "torch_molecule",
+  "date_created": "2025-07-28T00:54:19.004999",
+  "tasks": {
+    "default": {
+      "versions": [],
+      "current_version": "0.0.1",
+      "date_added": "2025-07-28T00:54:19.007002",
+      "last_updated": "2025-07-28T00:54:19.007002",
+      "num_parameters": 3594425,
+      "config": {
+        "mask_num": 0,
+        "mask_rate": 0.15,
+        "encoder_type": "gin-virtual",
+        "readout": "sum",
+        "num_layer": 5,
+        "hidden_size": 300,
+        "drop_ratio": 0.5,
+        "norm_layer": "batch_norm",
+        "batch_size": 128,
+        "epochs": 500,
+        "learning_rate": 0.001,
+        "weight_decay": 0.0,
+        "grad_clip_value": null,
+        "use_lr_scheduler": false,
+        "scheduler_factor": 0.5,
+        "scheduler_patience": 5,
+        "fitting_epoch": 499,
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+          "repr": "cuda:0"
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+        "verbose": false,
+        "model_name": "AttrMaskMolecularEncoder"
+      },
+      "metrics": {}
+    }
+  },
+  "last_updated": "2025-07-28T00:54:19.007002"
+}