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Do1Yun
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TorchMoleculeEncoderRepo

torch_molecule
molecular-property-prediction
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- ---
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- tags:
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- - torch_molecule
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- library_name: torch_molecule
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- ---
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-
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- # MoamaMolecularEncoder Model
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-
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- ## Model Description
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- - **Model Type**: MoamaMolecularEncoder
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- - **Framework**: torch_molecule
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- - **Last Updated**: 2025-07-28
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-
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- ## Task Summary
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- | Task | Version | Last Updated | Parameters | Metrics |
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- |------|---------|--------------|------------|----------|
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- | default | 0.0.4 | 2025-07-28 | 3,832,927 | |
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-
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-
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- ## Usage
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-
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- ```python
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- from torch_molecule import MoamaMolecularEncoder
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-
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- # Load model for specific task
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- model = MoamaMolecularEncoder()
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- model.load(
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- "local_model_dir/MoamaMolecularEncoder.pt",
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- repo="Do1Yun/TorchMoleculeEncoderRepo"
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- )
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-
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- # For predictor: Make predictions
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- # predictions = model.predict(smiles_list)
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- # For generator: Make generations
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- # generations = model.generate(n_samples)
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- # For encoder: Make encodings
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- # encodings = model.encode(smiles_list)
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- ```
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-
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- ## Tasks Details
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-
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-
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- ### default Task
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- - **Current Version**: 0.0.4
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- - **Last Updated**: 2025-07-28
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- - **Parameters**: 3,832,927
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- - **Configuration**:
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- ```python
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- {
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- "mask_rate": 0.15,
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- "lw_rec": 0.5,
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- "encoder_type": "gin-virtual",
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- "readout": "sum",
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- "num_layer": 5,
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- "hidden_size": 300,
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- "drop_ratio": 0.5,
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- "norm_layer": "batch_norm",
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- "batch_size": 128,
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- "epochs": 500,
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- "learning_rate": 0.001,
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- "weight_decay": 0.0,
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- "grad_clip_value": null,
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- "use_lr_scheduler": false,
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- "scheduler_factor": 0.5,
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- "scheduler_patience": 5,
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- "fitting_epoch": 499,
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- "device": {
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- "_type": "unknown",
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- "repr": "cuda:0"
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- },
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- "verbose": false,
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- "model_name": "MoamaMolecularEncoder"
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- }
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- ```
 
 
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+ ---
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+ tags:
3
+ - torch_molecule
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+ - molecular-property-prediction
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+ library_name: torch_molecule
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+ ---
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+
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+ # MoamaMolecularEncoder Model
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+
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+ ## Model Description
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+ - **Model Type**: MoamaMolecularEncoder
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+ - **Framework**: torch_molecule
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+ - **Last Updated**: 2025-07-28
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+
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+ ## Task Summary
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+ | Task | Version | Last Updated | Parameters | Metrics |
17
+ |------|---------|--------------|------------|----------|
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+ | default | 0.0.4 | 2025-07-28 | 3,832,927 | |
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+
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+
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+ ## Usage
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+
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+ ```python
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+ from torch_molecule import MoamaMolecularEncoder
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+
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+ # Load model for specific task
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+ model = MoamaMolecularEncoder()
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+ model.load(
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+ "local_model_dir/MoamaMolecularEncoder.pt",
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+ repo="Do1Yun/TorchMoleculeEncoderRepo"
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+ )
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+
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+ # For predictor: Make predictions
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+ # predictions = model.predict(smiles_list)
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+ # For generator: Make generations
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+ # generations = model.generate(n_samples)
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+ # For encoder: Make encodings
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+ # encodings = model.encode(smiles_list)
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+ ```
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+
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+ ## Tasks Details
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+
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+
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+ ### default Task
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+ - **Current Version**: 0.0.4
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+ - **Last Updated**: 2025-07-28
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+ - **Parameters**: 3,832,927
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+ - **Configuration**:
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+ ```python
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+ {
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+ "mask_rate": 0.15,
52
+ "lw_rec": 0.5,
53
+ "encoder_type": "gin-virtual",
54
+ "readout": "sum",
55
+ "num_layer": 5,
56
+ "hidden_size": 300,
57
+ "drop_ratio": 0.5,
58
+ "norm_layer": "batch_norm",
59
+ "batch_size": 128,
60
+ "epochs": 500,
61
+ "learning_rate": 0.001,
62
+ "weight_decay": 0.0,
63
+ "grad_clip_value": null,
64
+ "use_lr_scheduler": false,
65
+ "scheduler_factor": 0.5,
66
+ "scheduler_patience": 5,
67
+ "fitting_epoch": 499,
68
+ "device": {
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+ "_type": "unknown",
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+ "repr": "cuda:0"
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+ },
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+ "verbose": false,
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+ "model_name": "MoamaMolecularEncoder"
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+ }
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+ ```