Upload 9 files

added_tokens.json

@@ -0,0 +1,7 @@
+{
+  "</DRUG>": 768,
+  "</FRAG>": 770,
+  "<DRUG>": 767,
+  "<EOS_FRAG>": 771,
+  "<FRAG>": 769
+}

config.json

@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "best_model_checkpoint",
+  "architectures": [
+    "RobertaForMaskedLM"
+  ],
+  "attention_probs_dropout_prob": 0.1,
+  "bos_token_id": 0,
+  "classifier_dropout": null,
+  "eos_token_id": 2,
+  "hidden_act": "gelu",
+  "hidden_dropout_prob": 0.1,
+  "hidden_size": 768,
+  "initializer_range": 0.02,
+  "intermediate_size": 3072,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 514,
+  "model_type": "roberta",
+  "num_attention_heads": 12,
+  "num_hidden_layers": 6,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.33.3",
+  "type_vocab_size": 1,
+  "use_cache": true,
+  "vocab_size": 767
+}

errors_25-11-30-16-19-43.txt

@@ -0,0 +1,27 @@
+[train]
+  unclosed ring: 0
+  duplicated ring closure: 0
+  extra close parentheses: 0
+  extra open parentheses: 0
+  non-ring atom: 0
+  can't kekulize: 0
+  other: 0
+
+[val]
+  unclosed ring: 0
+  duplicated ring closure: 0
+  extra close parentheses: 0
+  extra open parentheses: 0
+  non-ring atom: 0
+  can't kekulize: 0
+  other: 0
+
+[test]
+  unclosed ring: 0
+  duplicated ring closure: 0
+  extra close parentheses: 0
+  extra open parentheses: 0
+  non-ring atom: 0
+  can't kekulize: 0
+  other: 0
+

merges.txt

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pytorch_model.bin

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+oid sha256:ae53f7ee1525c54057edc09fb9a1d796ad986cccc7ae962e9e5a86db6c04cd11
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run_args.json

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+{
+  "num_epochs": 20,
+  "batch_size": 16,
+  "max_length": 96,
+  "seq_penalty": 0.7448832409704772,
+  "invalid_smiles_penalty": 14.87225684138008,
+  "time": "25-11-30-16-19-43",
+  "representation": "DeepSMILES"
+}

special_tokens_map.json

@@ -0,0 +1,15 @@
+{
+  "bos_token": "<s>",
+  "cls_token": "<s>",
+  "eos_token": "</s>",
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": false,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": "<pad>",
+  "sep_token": "</s>",
+  "unk_token": "<unk>"
+}

tokenizer_config.json

@@ -0,0 +1,106 @@
+{
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+  "added_tokens_decoder": {
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+      "normalized": false,
+      "rstrip": false,
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+      "single_word": false,
+      "special": true
+    }
+  },
+  "bos_token": {
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+    "lstrip": false,
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+    "rstrip": false,
+    "single_word": false
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+  "clean_up_tokenization_spaces": true,
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+  "tokenizer_class": "RobertaTokenizer",
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+}

vocab.json

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