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sreekanth22
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PolyBind

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  1. config.json +71 -59
config.json CHANGED
@@ -1,63 +1,75 @@
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  {
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- "data": {
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- "context_length": 256,
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- "central_modality": "psmiles",
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- "modalities": ["bigsmiles", "polymer_name"],
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- "batch_size": 512,
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- "num_workers": 1,
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- "fraction_data": 1.0,
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- "valid_frac": 0.05,
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- "seed": 42
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- },
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- "model": {
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- "embedding_size": 256,
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- "encoders": {
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- "bigsmiles": {
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- "pretrained": true,
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- "freeze_encoder": true
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- },
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- "psmiles": {
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- "pretrained": true,
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- "freeze_encoder": true
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- },
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- "polymer_name": {
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- "pretrained": true,
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- "freeze_encoder": true
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- }
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  },
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- "projection_heads": {
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- "bigsmiles_is_on": true,
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- "psmiles_is_on": true,
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- "polymer_name_is_on": true,
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- "bigsmiles_freeze": false,
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- "psmiles_freeze": false,
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- "polymer_name_freeze": false,
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- "bigsmiles": {
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- "dims": [768, 256],
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- "activation": "LeakyReLU"
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- },
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- "psmiles": {
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- "dims": [600, 256],
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- "activation": "LeakyReLU"
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- },
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- "polymer_name": {
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- "dims": [768, 256],
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- "activation": "LeakyReLU"
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- }
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  },
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- "optimizer": {
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- "lr": 0.0001,
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- "weight_decay": 0.0001
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- },
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- "loss": {
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- "temperature": 0.07,
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- "symmetric": true,
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- "sparse": false
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- },
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- "compile": false
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- },
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- "trainer": {
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- "gpus_per_node": 1,
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- "num_nodes": 1
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- }
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  }
 
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  {
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+ "data": {
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+ "context_length": 256,
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+ "central_modality": "psmiles",
5
+ "modalities": [
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+ "bigsmiles",
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+ "polymer_name"
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+ ],
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+ "batch_size": 512,
10
+ "num_workers": 1,
11
+ "fraction_data": 1.0,
12
+ "valid_frac": 0.05,
13
+ "seed": 42
 
 
 
 
 
 
 
 
 
 
 
 
 
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  },
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+ "model": {
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+ "embedding_size": 256,
17
+ "encoders": {
18
+ "bigsmiles": {
19
+ "pretrained": true,
20
+ "freeze_encoder": true
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+ },
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+ "psmiles": {
23
+ "pretrained": true,
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+ "freeze_encoder": true
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+ },
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+ "polymer_name": {
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+ "pretrained": true,
28
+ "freeze_encoder": true
29
+ }
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+ },
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+ "projection_heads": {
32
+ "bigsmiles_is_on": true,
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+ "psmiles_is_on": true,
34
+ "polymer_name_is_on": true,
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+ "bigsmiles_freeze": false,
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+ "psmiles_freeze": false,
37
+ "polymer_name_freeze": false,
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+ "bigsmiles": {
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+ "dims": [
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+ 768,
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+ 256
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+ ],
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+ "activation": "LeakyReLU"
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+ },
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+ "psmiles": {
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+ "dims": [
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+ 768,
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+ 256
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+ ],
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+ "activation": "LeakyReLU"
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+ },
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+ "polymer_name": {
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+ "dims": [
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+ 768,
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+ 256
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+ ],
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+ "activation": "LeakyReLU"
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+ }
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+ },
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+ "optimizer": {
61
+ "lr": 0.0001,
62
+ "weight_decay": 0.0001
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+ },
64
+ "loss": {
65
+ "temperature": 0.07,
66
+ "symmetric": true,
67
+ "sparse": false
68
+ },
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+ "compile": false
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  },
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+ "trainer": {
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+ "gpus_per_node": 1,
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+ "num_nodes": 1
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+ }
 
 
 
 
 
 
 
 
 
 
 
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  }