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config.json

@@ -0,0 +1,59 @@
+{
+  "data": {
+    "context_length": 256,
+    "central_modality": "psmiles",
+    "modalities": ["bigsmiles", "polymer_name"],
+    "batch_size": 512,
+    "num_workers": 1,
+    "fraction_data": 1.0,
+    "valid_frac": 0.05,
+    "seed": 42
+  },
+  "model": {
+    "embedding_size": 256,
+    "encoders": {
+      "bigsmiles": {
+        "pretrained": true,
+        "freeze_encoder": true
+      },
+      "psmiles": {
+        "pretrained": true,
+        "freeze_encoder": true
+      },
+      "polymer_name": {
+        "pretrained": true,
+        "freeze_encoder": true
+      }
+    },
+    "projection_heads": {
+      "bigsmiles_is_on": true,
+      "psmiles_is_on": true,
+      "polymer_name_is_on": true,
+      "bigsmiles_freeze": false,
+      "psmiles_freeze": false,
+      "polymer_name_freeze": false,
+      "bigsmiles": {
+        "dims": [768, 256],
+        "activation": "LeakyReLU"
+      },
+      "psmiles": {
+        "dims": [600, 256],
+        "activation": "LeakyReLU"
+      },
+      "polymer_name": {
+        "dims": [768, 256],
+        "activation": "LeakyReLU"
+      }
+    },
+    "optimizer": {
+      "lr": 0.0001,
+      "weight_decay": 0.0001
+    },
+    "loss": {
+      "temperature": 0.07,
+      "symmetric": true,
+      "sparse": false
+    },
+    "compile": false
+  }
+}