Update model - Task: default

EdgePredMolecularEncoder.pt

@@ -1,3 +1,3 @@
 version https://git-lfs.github.com/spec/v1
-oid sha256:4a5b17e36562a845e53b3a426721459878a4869cd16a4c67dfb4021d8b3342bd
-size 13519303
+oid sha256:468b6611b28acaab7dd448df5834155b2edee9a628fe8283c9086e1616d78fb3
+size 13495943

README.md

@@ -1,7 +1,6 @@
 ---
 tags:
 - torch_molecule
-- molecular-property-prediction
 library_name: torch_molecule
 ---
 
@@ -10,12 +9,12 @@ library_name: torch_molecule
 ## Model Description
 - **Model Type**: EdgePredMolecularEncoder
 - **Framework**: torch_molecule
-- **Last Updated**: 2025-04-03
+- **Last Updated**: 2025-04-11
 
 ## Task Summary
 | Task | Version | Last Updated | Parameters | Metrics |
 |------|---------|--------------|------------|----------|
-| default | 0.0.1 | 2025-04-03 | 3,340,505 |  |
+| default | 0.0.2 | 2025-04-11 | 3,340,505 |  |
 
 
 ## Usage
@@ -42,8 +41,8 @@ model.load(
 
 
 ### default Task
-- **Current Version**: 0.0.1
-- **Last Updated**: 2025-04-03
+- **Current Version**: 0.0.2
+- **Last Updated**: 2025-04-11
 - **Parameters**: 3,340,505
 - **Configuration**:
 ```python
@@ -55,17 +54,17 @@ model.load(
   "drop_ratio": 0.5,
   "norm_layer": "batch_norm",
   "batch_size": 128,
-  "epochs": 500,
+  "epochs": 100,
   "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,
+  "fitting_epoch": 99,
   "device": {
     "_type": "unknown",
-    "repr": "cpu"
+    "repr": "cuda:0"
   },
   "verbose": false,
   "model_name": "EdgePredMolecularEncoder"

config.json

@@ -5,9 +5,9 @@
   "tasks": {
     "default": {
       "versions": [],
-      "current_version": "0.0.1",
+      "current_version": "0.0.2",
       "date_added": "2025-04-03T11:36:36.524557",
-      "last_updated": "2025-04-03T11:36:36.524563",
+      "last_updated": "2025-04-11T12:00:13.130500",
       "num_parameters": 3340505,
       "config": {
         "encoder_type": "gin-virtual",
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         "drop_ratio": 0.5,
         "norm_layer": "batch_norm",
         "batch_size": 128,
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+        "epochs": 100,
         "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,
+        "fitting_epoch": 99,
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+          0.7364802263679504,
+          0.7364898061218261
         ],
         "device": {
           "_type": "unknown",
-          "repr": "cpu"
+          "repr": "cuda:0"
         },
         "verbose": false,
         "model_name": "EdgePredMolecularEncoder"
@@ -537,5 +137,5 @@
       "metrics": {}
     }
   },
-  "last_updated": "2025-04-03T11:36:36.524565"
+  "last_updated": "2025-04-11T12:00:13.130515"
 }