Do1Yun commited on
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1 Parent(s): 800cdcb

Update model - Task: default

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Files changed (3) hide show
  1. MoamaMolecularEncoder.pt +2 -2
  2. README.md +15 -16
  3. config.json +19 -509
MoamaMolecularEncoder.pt CHANGED
@@ -1,3 +1,3 @@
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README.md CHANGED
@@ -1,32 +1,31 @@
1
  ---
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  tags:
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  - torch_molecule
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- - molecular-property-prediction
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  library_name: torch_molecule
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  ---
7
 
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- # AttrMaskMolecularEncoder Model
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  ## Model Description
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- - **Model Type**: AttrMaskMolecularEncoder
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  - **Framework**: torch_molecule
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- - **Last Updated**: 2025-07-31
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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 | 0.0.8 | 2025-07-31 | 3,594,425 | |
19
 
20
 
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  ## Usage
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  ```python
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- from torch_molecule import AttrMaskMolecularEncoder
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  # Load model for specific task
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- model = AttrMaskMolecularEncoder()
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  model.load(
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- "local_model_dir/AttrMaskMolecularEncoder.pt",
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  repo="Do1Yun/TorchMoleculeEncoderRepo"
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  )
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@@ -42,34 +41,34 @@ model.load(
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43
 
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  ### default Task
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- - **Current Version**: 0.0.8
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- - **Last Updated**: 2025-07-31
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- - **Parameters**: 3,594,425
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  - **Configuration**:
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  ```python
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  {
51
- "mask_num": 0,
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  "mask_rate": 0.15,
 
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  "encoder_type": "gin-virtual",
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  "readout": "sum",
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  "num_layer": 5,
56
  "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,
62
  "weight_decay": 0.0,
63
  "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,
67
- "fitting_epoch": 499,
68
  "device": {
69
  "_type": "unknown",
70
  "repr": "cuda:0"
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  },
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  "verbose": false,
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- "model_name": "AttrMaskMolecularEncoder"
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  }
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  ```
 
1
  ---
2
  tags:
3
  - torch_molecule
 
4
  library_name: torch_molecule
5
  ---
6
 
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+ # MoamaMolecularEncoder Model
8
 
9
  ## Model Description
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+ - **Model Type**: MoamaMolecularEncoder
11
  - **Framework**: torch_molecule
12
+ - **Last Updated**: 2025-08-07
13
 
14
  ## Task Summary
15
  | Task | Version | Last Updated | Parameters | Metrics |
16
  |------|---------|--------------|------------|----------|
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+ | default | 0.0.9 | 2025-08-07 | 3,832,927 | |
18
 
19
 
20
  ## Usage
21
 
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  ```python
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+ from torch_molecule import MoamaMolecularEncoder
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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",
29
  repo="Do1Yun/TorchMoleculeEncoderRepo"
30
  )
31
 
 
41
 
42
 
43
  ### default Task
44
+ - **Current Version**: 0.0.9
45
+ - **Last Updated**: 2025-08-07
46
+ - **Parameters**: 3,832,927
47
  - **Configuration**:
48
  ```python
49
  {
 
50
  "mask_rate": 0.15,
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+ "lw_rec": 0.5,
52
  "encoder_type": "gin-virtual",
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  "readout": "sum",
54
  "num_layer": 5,
55
  "hidden_size": 300,
56
  "drop_ratio": 0.5,
57
  "norm_layer": "batch_norm",
58
+ "batch_size": 32,
59
+ "epochs": 10,
60
  "learning_rate": 0.001,
61
  "weight_decay": 0.0,
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  "grad_clip_value": null,
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  "use_lr_scheduler": false,
64
  "scheduler_factor": 0.5,
65
  "scheduler_patience": 5,
66
+ "fitting_epoch": 9,
67
  "device": {
68
  "_type": "unknown",
69
  "repr": "cuda:0"
70
  },
71
  "verbose": false,
72
+ "model_name": "MoamaMolecularEncoder"
73
  }
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  ```
config.json CHANGED
@@ -5,539 +5,49 @@
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  "tasks": {
6
  "default": {
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  "versions": [],
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- "current_version": "0.0.8",
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  "date_added": "2025-07-28T00:54:19.007002",
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- "last_updated": "2025-07-31T11:23:16.269022",
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- "num_parameters": 3594425,
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  "config": {
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- "mask_num": 0,
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  "mask_rate": 0.15,
 
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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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