Upload 12 files

1_Pooling/config.json

@@ -0,0 +1,10 @@
+{
+  "word_embedding_dimension": 1024,
+  "pooling_mode_cls_token": false,
+  "pooling_mode_mean_tokens": true,
+  "pooling_mode_max_tokens": false,
+  "pooling_mode_mean_sqrt_len_tokens": false,
+  "pooling_mode_weightedmean_tokens": false,
+  "pooling_mode_lasttoken": false,
+  "include_prompt": true
+}

README.md

@@ -1,3 +1,141 @@
----
-license: apache-2.0
----
+---
+tags:
+- sentence-transformers
+- sentence-similarity
+- feature-extraction
+pipeline_tag: sentence-similarity
+library_name: sentence-transformers
+---
+
+# SentenceTransformer
+
+This is a [sentence-transformers](https://www.SBERT.net) model trained. It maps sentences & paragraphs to a 1024-dimensional dense vector space and can be used for semantic textual similarity, semantic search, paraphrase mining, text classification, clustering, and more.
+
+## Model Details
+
+### Model Description
+- **Model Type:** Sentence Transformer
+<!-- - **Base model:** [Unknown](https://huggingface.co/unknown) -->
+- **Maximum Sequence Length:** 128 tokens
+- **Output Dimensionality:** 1024 dimensions
+- **Similarity Function:** Cosine Similarity
+<!-- - **Training Dataset:** Unknown -->
+<!-- - **Language:** Unknown -->
+<!-- - **License:** Unknown -->
+
+### Model Sources
+
+- **Documentation:** [Sentence Transformers Documentation](https://sbert.net)
+- **Repository:** [Sentence Transformers on GitHub](https://github.com/UKPLab/sentence-transformers)
+- **Hugging Face:** [Sentence Transformers on Hugging Face](https://huggingface.co/models?library=sentence-transformers)
+
+### Full Model Architecture
+
+```
+SentenceTransformer(
+  (0): Transformer({'max_seq_length': 128, 'do_lower_case': False}) with Transformer model: RobertaModel 
+  (1): Pooling({'word_embedding_dimension': 1024, 'pooling_mode_cls_token': False, 'pooling_mode_mean_tokens': True, 'pooling_mode_max_tokens': False, 'pooling_mode_mean_sqrt_len_tokens': False, 'pooling_mode_weightedmean_tokens': False, 'pooling_mode_lasttoken': False, 'include_prompt': True})
+  (2): Normalize()
+)
+```
+
+## Usage
+
+### Direct Usage (Sentence Transformers)
+
+First install the Sentence Transformers library:
+
+```bash
+pip install -U sentence-transformers
+```
+
+Then you can load this model and run inference.
+```python
+from sentence_transformers import SentenceTransformer
+
+# Download from the 🤗 Hub
+model = SentenceTransformer("sentence_transformers_model_id")
+# Run inference
+sentences = [
+    'The weather is lovely today.',
+    "It's so sunny outside!",
+    'He drove to the stadium.',
+]
+embeddings = model.encode(sentences)
+print(embeddings.shape)
+# [3, 1024]
+
+# Get the similarity scores for the embeddings
+similarities = model.similarity(embeddings, embeddings)
+print(similarities.shape)
+# [3, 3]
+```
+
+<!--
+### Direct Usage (Transformers)
+
+<details><summary>Click to see the direct usage in Transformers</summary>
+
+</details>
+-->
+
+<!--
+### Downstream Usage (Sentence Transformers)
+
+You can finetune this model on your own dataset.
+
+<details><summary>Click to expand</summary>
+
+</details>
+-->
+
+<!--
+### Out-of-Scope Use
+
+*List how the model may foreseeably be misused and address what users ought not to do with the model.*
+-->
+
+<!--
+## Bias, Risks and Limitations
+
+*What are the known or foreseeable issues stemming from this model? You could also flag here known failure cases or weaknesses of the model.*
+-->
+
+<!--
+### Recommendations
+
+*What are recommendations with respect to the foreseeable issues? For example, filtering explicit content.*
+-->
+
+## Training Details
+
+### Framework Versions
+- Python: 3.12.9
+- Sentence Transformers: 4.0.1
+- Transformers: 4.48.2
+- PyTorch: 2.6.0+cu124
+- Accelerate: 1.4.0
+- Datasets: 3.3.2
+- Tokenizers: 0.21.0
+
+## Citation
+
+### BibTeX
+
+<!--
+## Glossary
+
+*Clearly define terms in order to be accessible across audiences.*
+-->
+
+<!--
+## Model Card Authors
+
+*Lists the people who create the model card, providing recognition and accountability for the detailed work that goes into its construction.*
+-->
+
+<!--
+## Model Card Contact
+
+*Provides a way for people who have updates to the Model Card, suggestions, or questions, to contact the Model Card authors.*
+-->

config.json

@@ -0,0 +1,27 @@
+{
+  "_name_or_path": "models/chemberta-druglike/release",
+  "architectures": [
+    "RobertaModel"
+  ],
+  "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": 1024,
+  "initializer_range": 0.02,
+  "intermediate_size": 4096,
+  "layer_norm_eps": 1e-12,
+  "max_position_embeddings": 130,
+  "model_type": "roberta",
+  "num_attention_heads": 8,
+  "num_hidden_layers": 12,
+  "pad_token_id": 1,
+  "position_embedding_type": "absolute",
+  "torch_dtype": "float32",
+  "transformers_version": "4.48.2",
+  "type_vocab_size": 1,
+  "use_cache": false,
+  "vocab_size": 581
+}

config_sentence_transformers.json

@@ -0,0 +1,10 @@
+{
+  "__version__": {
+    "sentence_transformers": "4.0.1",
+    "transformers": "4.48.2",
+    "pytorch": "2.6.0+cu124"
+  },
+  "prompts": {},
+  "default_prompt_name": null,
+  "similarity_fn_name": "cosine"
+}

merges.txt

@@ -0,0 +1 @@
+#version: 0.2

model.safetensors

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:85d7920021446ff3f809cdc8cf68f4b52e56b2f9a7ec517f6af3aa8589b7acdd
+size 611764232

modules.json

@@ -0,0 +1,20 @@
+[
+  {
+    "idx": 0,
+    "name": "0",
+    "path": "",
+    "type": "sentence_transformers.models.Transformer"
+  },
+  {
+    "idx": 1,
+    "name": "1",
+    "path": "1_Pooling",
+    "type": "sentence_transformers.models.Pooling"
+  },
+  {
+    "idx": 2,
+    "name": "2",
+    "path": "2_Normalize",
+    "type": "sentence_transformers.models.Normalize"
+  }
+]

sentence_bert_config.json

@@ -0,0 +1,4 @@
+{
+  "max_seq_length": 128,
+  "do_lower_case": false
+}

special_tokens_map.json

@@ -0,0 +1,51 @@
+{
+  "bos_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "cls_token": {
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "mask_token": {
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": false,
+    "rstrip": false,
+    "single_word": false
+  },
+  "pad_token": {
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "unk_token": {
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}

tokenizer.json

@@ -0,0 +1,684 @@
+{
+  "version": "1.0",
+  "truncation": {
+    "direction": "Right",
+    "max_length": 128,
+    "strategy": "LongestFirst",
+    "stride": 0
+  },
+  "padding": {
+    "strategy": "BatchLongest",
+    "direction": "Right",
+    "pad_to_multiple_of": null,
+    "pad_id": 1,
+    "pad_type_id": 0,
+    "pad_token": "<pad>"
+  },
+  "added_tokens": [
+    {
+      "id": 0,
+      "content": "<s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 1,
+      "content": "<pad>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 2,
+      "content": "</s>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 3,
+      "content": "<unk>",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": true
+    },
+    {
+      "id": 4,
+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": false,
+      "special": true
+    }
+  ],
+  "normalizer": null,
+  "pre_tokenizer": {
+    "type": "ByteLevel",
+    "add_prefix_space": false,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "post_processor": {
+    "type": "RobertaProcessing",
+    "sep": [
+      "</s>",
+      2
+    ],
+    "cls": [
+      "<s>",
+      0
+    ],
+    "trim_offsets": true,
+    "add_prefix_space": false
+  },
+  "decoder": {
+    "type": "ByteLevel",
+    "add_prefix_space": true,
+    "trim_offsets": true,
+    "use_regex": true
+  },
+  "model": {
+    "type": "BPE",
+    "dropout": null,
+    "unk_token": null,
+    "continuing_subword_prefix": "",
+    "end_of_word_suffix": "",
+    "fuse_unk": false,
+    "byte_fallback": false,
+    "ignore_merges": false,
+    "vocab": {
+      "<s>": 0,
+      "<pad>": 1,
+      "</s>": 2,
+      "<unk>": 3,
+      "<mask>": 4,
+      "c": 5,
+      "C": 6,
+      "(": 7,
+      ")": 8,
+      "O": 9,
+      "1": 10,
+      "2": 11,
+      "=": 12,
+      "N": 13,
+      ".": 14,
+      "n": 15,
+      "3": 16,
+      "F": 17,
+      "Cl": 18,
+      ">>": 19,
+      "~": 20,
+      "-": 21,
+      "4": 22,
+      "[C@H]": 23,
+      "S": 24,
+      "[C@@H]": 25,
+      "[O-]": 26,
+      "Br": 27,
+      "#": 28,
+      "/": 29,
+      "[nH]": 30,
+      "[N+]": 31,
+      "s": 32,
+      "5": 33,
+      "o": 34,
+      "P": 35,
+      "[Na+]": 36,
+      "[Si]": 37,
+      "I": 38,
+      "[Na]": 39,
+      "[Pd]": 40,
+      "[K+]": 41,
+      "[K]": 42,
+      "[P]": 43,
+      "B": 44,
+      "[C@]": 45,
+      "[C@@]": 46,
+      "[Cl-]": 47,
+      "6": 48,
+      "[OH-]": 49,
+      "\\": 50,
+      "[N-]": 51,
+      "[Li]": 52,
+      "[H]": 53,
+      "[2H]": 54,
+      "[NH4+]": 55,
+      "[c-]": 56,
+      "[P-]": 57,
+      "[Cs+]": 58,
+      "[Li+]": 59,
+      "[Cs]": 60,
+      "[NaH]": 61,
+      "[H-]": 62,
+      "[O+]": 63,
+      "[BH4-]": 64,
+      "[Cu]": 65,
+      "7": 66,
+      "[Mg]": 67,
+      "[Fe+2]": 68,
+      "[n+]": 69,
+      "[Sn]": 70,
+      "[BH-]": 71,
+      "[Pd+2]": 72,
+      "[CH]": 73,
+      "[I-]": 74,
+      "[Br-]": 75,
+      "[C-]": 76,
+      "[Zn]": 77,
+      "[B-]": 78,
+      "[F-]": 79,
+      "[Al]": 80,
+      "[P+]": 81,
+      "[BH3-]": 82,
+      "[Fe]": 83,
+      "[C]": 84,
+      "[AlH4]": 85,
+      "[Ni]": 86,
+      "[SiH]": 87,
+      "8": 88,
+      "[Cu+2]": 89,
+      "[Mn]": 90,
+      "[AlH]": 91,
+      "[nH+]": 92,
+      "[AlH4-]": 93,
+      "[O-2]": 94,
+      "[Cr]": 95,
+      "[Mg+2]": 96,
+      "[NH3+]": 97,
+      "[S@]": 98,
+      "[Pt]": 99,
+      "[Al+3]": 100,
+      "[S@@]": 101,
+      "[S-]": 102,
+      "[Ti]": 103,
+      "[Zn+2]": 104,
+      "[PH]": 105,
+      "[NH2+]": 106,
+      "[Ru]": 107,
+      "[Ag+]": 108,
+      "[S+]": 109,
+      "[I+3]": 110,
+      "[NH+]": 111,
+      "[Ca+2]": 112,
+      "[Ag]": 113,
+      "9": 114,
+      "[Os]": 115,
+      "[Se]": 116,
+      "[SiH2]": 117,
+      "[Ca]": 118,
+      "[Ti+4]": 119,
+      "[Ac]": 120,
+      "[Cu+]": 121,
+      "[S]": 122,
+      "[Rh]": 123,
+      "[Cl+3]": 124,
+      "[cH-]": 125,
+      "[Zn+]": 126,
+      "[O]": 127,
+      "[Cl+]": 128,
+      "[SH]": 129,
+      "[H+]": 130,
+      "[Pd+]": 131,
+      "[se]": 132,
+      "[PH+]": 133,
+      "[I]": 134,
+      "[Pt+2]": 135,
+      "[C+]": 136,
+      "[Mg+]": 137,
+      "[Hg]": 138,
+      "[W]": 139,
+      "[SnH]": 140,
+      "[SiH3]": 141,
+      "[Fe+3]": 142,
+      "[NH]": 143,
+      "[Mo]": 144,
+      "[CH2+]": 145,
+      "%10": 146,
+      "[CH2-]": 147,
+      "[CH2]": 148,
+      "[n-]": 149,
+      "[Ce+4]": 150,
+      "[NH-]": 151,
+      "[Co]": 152,
+      "[I+]": 153,
+      "[PH2]": 154,
+      "[Pt+4]": 155,
+      "[Ce]": 156,
+      "[B]": 157,
+      "[Sn+2]": 158,
+      "[Ba+2]": 159,
+      "%11": 160,
+      "[Fe-3]": 161,
+      "[18F]": 162,
+      "[SH-]": 163,
+      "[Pb+2]": 164,
+      "[Os-2]": 165,
+      "[Zr+4]": 166,
+      "[N]": 167,
+      "[Ir]": 168,
+      "[Bi]": 169,
+      "[Ni+2]": 170,
+      "[P@]": 171,
+      "[Co+2]": 172,
+      "[s+]": 173,
+      "[As]": 174,
+      "[P+3]": 175,
+      "[Hg+2]": 176,
+      "[Yb+3]": 177,
+      "[CH-]": 178,
+      "[Zr+2]": 179,
+      "[Mn+2]": 180,
+      "[CH+]": 181,
+      "[In]": 182,
+      "[KH]": 183,
+      "[Ce+3]": 184,
+      "[Zr]": 185,
+      "[AlH2-]": 186,
+      "[OH2+]": 187,
+      "[Ti+3]": 188,
+      "[Rh+2]": 189,
+      "[Sb]": 190,
+      "[S-2]": 191,
+      "%12": 192,
+      "[P@@]": 193,
+      "[Si@H]": 194,
+      "[Mn+4]": 195,
+      "p": 196,
+      "[Ba]": 197,
+      "[NH2-]": 198,
+      "[Ge]": 199,
+      "[Pb+4]": 200,
+      "[Cr+3]": 201,
+      "[Au]": 202,
+      "[LiH]": 203,
+      "[Sc+3]": 204,
+      "[o+]": 205,
+      "[Rh-3]": 206,
+      "%13": 207,
+      "[Br]": 208,
+      "[Sb-]": 209,
+      "[S@+]": 210,
+      "[I+2]": 211,
+      "[Ar]": 212,
+      "[V]": 213,
+      "[Cu-]": 214,
+      "[Al-]": 215,
+      "[Te]": 216,
+      "[13c]": 217,
+      "[13C]": 218,
+      "[Cl]": 219,
+      "[PH4+]": 220,
+      "[SiH4]": 221,
+      "[te]": 222,
+      "[CH3-]": 223,
+      "[S@@+]": 224,
+      "[Rh+3]": 225,
+      "[SH+]": 226,
+      "[Bi+3]": 227,
+      "[Br+2]": 228,
+      "[La]": 229,
+      "[La+3]": 230,
+      "[Pt-2]": 231,
+      "[N@@]": 232,
+      "[PH3+]": 233,
+      "[N@]": 234,
+      "[Si+4]": 235,
+      "[Sr+2]": 236,
+      "[Al+]": 237,
+      "[Pb]": 238,
+      "[SeH]": 239,
+      "[Si-]": 240,
+      "[V+5]": 241,
+      "[Y+3]": 242,
+      "[Re]": 243,
+      "[Ru+]": 244,
+      "[Sm]": 245,
+      "*": 246,
+      "[3H]": 247,
+      "[NH2]": 248,
+      "[Ag-]": 249,
+      "[13CH3]": 250,
+      "[OH+]": 251,
+      "[Ru+3]": 252,
+      "[OH]": 253,
+      "[Gd+3]": 254,
+      "[13CH2]": 255,
+      "[In+3]": 256,
+      "[Si@@]": 257,
+      "[Si@]": 258,
+      "[Ti+2]": 259,
+      "[Sn+]": 260,
+      "[Cl+2]": 261,
+      "[AlH-]": 262,
+      "[Pd-2]": 263,
+      "[SnH3]": 264,
+      "[B+3]": 265,
+      "[Cu-2]": 266,
+      "[Nd+3]": 267,
+      "[Pb+3]": 268,
+      "[13cH]": 269,
+      "[Fe-4]": 270,
+      "[Ga]": 271,
+      "[Sn+4]": 272,
+      "[Hg+]": 273,
+      "[11CH3]": 274,
+      "[Hf]": 275,
+      "[Pr]": 276,
+      "[Y]": 277,
+      "[S+2]": 278,
+      "[Cd]": 279,
+      "[Cr+6]": 280,
+      "[Zr+3]": 281,
+      "[Rh+]": 282,
+      "[CH3]": 283,
+      "[N-3]": 284,
+      "[Hf+2]": 285,
+      "[Th]": 286,
+      "[Sb+3]": 287,
+      "%14": 288,
+      "[Cr+2]": 289,
+      "[Ru+2]": 290,
+      "[Hf+4]": 291,
+      "[14C]": 292,
+      "[Ta]": 293,
+      "[Tl+]": 294,
+      "[B+]": 295,
+      "[Os+4]": 296,
+      "[PdH2]": 297,
+      "[Pd-]": 298,
+      "[Cd+2]": 299,
+      "[Co+3]": 300,
+      "[S+4]": 301,
+      "[Nb+5]": 302,
+      "[123I]": 303,
+      "[c+]": 304,
+      "[Rb+]": 305,
+      "[V+2]": 306,
+      "[CH3+]": 307,
+      "[Ag+2]": 308,
+      "[cH+]": 309,
+      "[Mn+3]": 310,
+      "[Se-]": 311,
+      "[As-]": 312,
+      "[Eu+3]": 313,
+      "[SH2]": 314,
+      "[Sm+3]": 315,
+      "[IH+]": 316,
+      "%15": 317,
+      "[OH3+]": 318,
+      "[PH3]": 319,
+      "[IH2+]": 320,
+      "[SH2+]": 321,
+      "[Ir+3]": 322,
+      "[AlH3]": 323,
+      "[Sc]": 324,
+      "[Yb]": 325,
+      "[15NH2]": 326,
+      "[Lu]": 327,
+      "[sH+]": 328,
+      "[Gd]": 329,
+      "[18F-]": 330,
+      "[SH3+]": 331,
+      "[SnH4]": 332,
+      "[TeH]": 333,
+      "[Si@@H]": 334,
+      "[Ga+3]": 335,
+      "[CaH2]": 336,
+      "[Tl]": 337,
+      "[Ta+5]": 338,
+      "[GeH]": 339,
+      "[Br+]": 340,
+      "[Sr]": 341,
+      "[Tl+3]": 342,
+      "[Sm+2]": 343,
+      "[PH5]": 344,
+      "%16": 345,
+      "[N@@+]": 346,
+      "[Au+3]": 347,
+      "[C-4]": 348,
+      "[Nd]": 349,
+      "[Ti+]": 350,
+      "[IH]": 351,
+      "[N@+]": 352,
+      "[125I]": 353,
+      "[Eu]": 354,
+      "[Sn+3]": 355,
+      "[Nb]": 356,
+      "[Er+3]": 357,
+      "[123I-]": 358,
+      "[14c]": 359,
+      "%17": 360,
+      "[SnH2]": 361,
+      "[YH]": 362,
+      "[Sb+5]": 363,
+      "[Pr+3]": 364,
+      "[Ir+]": 365,
+      "[N+3]": 366,
+      "[AlH2]": 367,
+      "[19F]": 368,
+      "%18": 369,
+      "[Tb]": 370,
+      "[14CH]": 371,
+      "[Mo+4]": 372,
+      "[Si+]": 373,
+      "[BH]": 374,
+      "[Be]": 375,
+      "[Rb]": 376,
+      "[pH]": 377,
+      "%19": 378,
+      "%20": 379,
+      "[Xe]": 380,
+      "[Ir-]": 381,
+      "[Be+2]": 382,
+      "[C+4]": 383,
+      "[RuH2]": 384,
+      "[15NH]": 385,
+      "[U+2]": 386,
+      "[Au-]": 387,
+      "%21": 388,
+      "%22": 389,
+      "[Au+]": 390,
+      "[15n]": 391,
+      "[Al+2]": 392,
+      "[Tb+3]": 393,
+      "[15N]": 394,
+      "[V+3]": 395,
+      "[W+6]": 396,
+      "[14CH3]": 397,
+      "[Cr+4]": 398,
+      "[ClH+]": 399,
+      "b": 400,
+      "[Ti+6]": 401,
+      "[Nd+]": 402,
+      "[Zr+]": 403,
+      "[PH2+]": 404,
+      "[Fm]": 405,
+      "[N@H+]": 406,
+      "[RuH]": 407,
+      "[Dy+3]": 408,
+      "%23": 409,
+      "[Hf+3]": 410,
+      "[W+4]": 411,
+      "[11C]": 412,
+      "[13CH]": 413,
+      "[Er]": 414,
+      "[124I]": 415,
+      "[LaH]": 416,
+      "[F]": 417,
+      "[siH]": 418,
+      "[Ga+]": 419,
+      "[Cm]": 420,
+      "[GeH3]": 421,
+      "[IH-]": 422,
+      "[U+6]": 423,
+      "[SeH+]": 424,
+      "[32P]": 425,
+      "[SeH-]": 426,
+      "[Pt-]": 427,
+      "[Ir+2]": 428,
+      "[se+]": 429,
+      "[U]": 430,
+      "[F+]": 431,
+      "[BH2]": 432,
+      "[As+]": 433,
+      "[Cf]": 434,
+      "[ClH2+]": 435,
+      "[Ni+]": 436,
+      "[TeH3]": 437,
+      "[SbH2]": 438,
+      "[Ag+3]": 439,
+      "%24": 440,
+      "[18O]": 441,
+      "[PH4]": 442,
+      "[Os+2]": 443,
+      "[Na-]": 444,
+      "[Sb+2]": 445,
+      "[V+4]": 446,
+      "[Ho+3]": 447,
+      "[68Ga]": 448,
+      "[PH-]": 449,
+      "[Bi+2]": 450,
+      "[Ce+2]": 451,
+      "[Pd+3]": 452,
+      "[99Tc]": 453,
+      "[13C@@H]": 454,
+      "[Fe+6]": 455,
+      "[c]": 456,
+      "[GeH2]": 457,
+      "[10B]": 458,
+      "[Cu+3]": 459,
+      "[Mo+2]": 460,
+      "[Cr+]": 461,
+      "[Pd+4]": 462,
+      "[Dy]": 463,
+      "[AsH]": 464,
+      "[Ba+]": 465,
+      "[SeH2]": 466,
+      "[In+]": 467,
+      "[TeH2]": 468,
+      "[BrH+]": 469,
+      "[14cH]": 470,
+      "[W+]": 471,
+      "[13C@H]": 472,
+      "[AsH2]": 473,
+      "[In+2]": 474,
+      "[N+2]": 475,
+      "[N@@H+]": 476,
+      "[SbH]": 477,
+      "[60Co]": 478,
+      "[AsH4+]": 479,
+      "[AsH3]": 480,
+      "[18OH]": 481,
+      "[Ru-2]": 482,
+      "[Na-2]": 483,
+      "[CuH2]": 484,
+      "[31P]": 485,
+      "[Ti+5]": 486,
+      "[35S]": 487,
+      "[P@@H]": 488,
+      "[ArH]": 489,
+      "[Co+]": 490,
+      "[Zr-2]": 491,
+      "[BH2-]": 492,
+      "[131I]": 493,
+      "[SH5]": 494,
+      "[VH]": 495,
+      "[B+2]": 496,
+      "[Yb+2]": 497,
+      "[14C@H]": 498,
+      "[211At]": 499,
+      "[NH3+2]": 500,
+      "[IrH]": 501,
+      "[IrH2]": 502,
+      "[Rh-]": 503,
+      "[Cr-]": 504,
+      "[Sb+]": 505,
+      "[Ni+3]": 506,
+      "[TaH3]": 507,
+      "[Tl+2]": 508,
+      "[64Cu]": 509,
+      "[Tc]": 510,
+      "[Cd+]": 511,
+      "[1H]": 512,
+      "[15nH]": 513,
+      "[AlH2+]": 514,
+      "[FH+2]": 515,
+      "[BiH3]": 516,
+      "[Ru-]": 517,
+      "[Mo+6]": 518,
+      "[AsH+]": 519,
+      "[BaH2]": 520,
+      "[BaH]": 521,
+      "[Fe+4]": 522,
+      "[229Th]": 523,
+      "[Th+4]": 524,
+      "[As+3]": 525,
+      "[NH+3]": 526,
+      "[P@H]": 527,
+      "[Li-]": 528,
+      "[7NaH]": 529,
+      "[Bi+]": 530,
+      "[PtH+2]": 531,
+      "[p-]": 532,
+      "[Re+5]": 533,
+      "[NiH]": 534,
+      "[Ni-]": 535,
+      "[Xe+]": 536,
+      "[Ca+]": 537,
+      "[11c]": 538,
+      "[Rh+4]": 539,
+      "[AcH]": 540,
+      "[HeH]": 541,
+      "[Sc+2]": 542,
+      "[Mn+]": 543,
+      "[UH]": 544,
+      "[14CH2]": 545,
+      "[SiH4+]": 546,
+      "[18OH2]": 547,
+      "[Ac-]": 548,
+      "[Re+4]": 549,
+      "[118Sn]": 550,
+      "[153Sm]": 551,
+      "[P+2]": 552,
+      "[9CH]": 553,
+      "[9CH3]": 554,
+      "[Y-]": 555,
+      "[NiH2]": 556,
+      "[Si+2]": 557,
+      "[Mn+6]": 558,
+      "[ZrH2]": 559,
+      "[C-2]": 560,
+      "[Bi+5]": 561,
+      "[24NaH]": 562,
+      "[Fr]": 563,
+      "[15CH]": 564,
+      "[Se+]": 565,
+      "[At]": 566,
+      "[P-3]": 567,
+      "[124I-]": 568,
+      "[CuH2-]": 569,
+      "[Nb+4]": 570,
+      "[Nb+3]": 571,
+      "[MgH]": 572,
+      "[Ir+4]": 573,
+      "[67Ga+3]": 574,
+      "[67Ga]": 575,
+      "[13N]": 576,
+      "[15OH2]": 577,
+      "[2NH]": 578,
+      "[Ho]": 579,
+      "[Cn]": 580
+    },
+    "merges": []
+  }
+}

tokenizer_config.json

@@ -0,0 +1,59 @@
+{
+  "add_prefix_space": false,
+  "added_tokens_decoder": {
+    "0": {
+      "content": "<s>",
+      "lstrip": false,
+      "normalized": true,
+      "rstrip": false,
+      "single_word": false,
+      "special": true
+    },
+    "1": {
+      "content": "<pad>",
+      "lstrip": false,
+      "normalized": true,
+      "rstrip": false,
+      "single_word": false,
+      "special": true
+    },
+    "2": {
+      "content": "</s>",
+      "lstrip": false,
+      "normalized": true,
+      "rstrip": false,
+      "single_word": false,
+      "special": true
+    },
+    "3": {
+      "content": "<unk>",
+      "lstrip": false,
+      "normalized": true,
+      "rstrip": false,
+      "single_word": false,
+      "special": true
+    },
+    "4": {
+      "content": "<mask>",
+      "lstrip": true,
+      "normalized": false,
+      "rstrip": false,
+      "single_word": false,
+      "special": true
+    }
+  },
+  "bos_token": "<s>",
+  "clean_up_tokenization_spaces": false,
+  "cls_token": "<s>",
+  "eos_token": "</s>",
+  "errors": "replace",
+  "extra_special_tokens": {},
+  "mask_token": "<mask>",
+  "max_len": 128,
+  "model_max_length": 128,
+  "pad_token": "<pad>",
+  "sep_token": "</s>",
+  "tokenizer_class": "RobertaTokenizer",
+  "trim_offsets": true,
+  "unk_token": "<unk>"
+}

vocab.json

@@ -0,0 +1 @@
+{"<s>":0,"<pad>":1,"</s>":2,"<unk>":3,"<mask>":4,"c":5,"C":6,"(":7,")":8,"O":9,"1":10,"2":11,"=":12,"N":13,".":14,"n":15,"3":16,"F":17,"Cl":18,">>":19,"~":20,"-":21,"4":22,"[C@H]":23,"S":24,"[C@@H]":25,"[O-]":26,"Br":27,"#":28,"/":29,"[nH]":30,"[N+]":31,"s":32,"5":33,"o":34,"P":35,"[Na+]":36,"[Si]":37,"I":38,"[Na]":39,"[Pd]":40,"[K+]":41,"[K]":42,"[P]":43,"B":44,"[C@]":45,"[C@@]":46,"[Cl-]":47,"6":48,"[OH-]":49,"\\":50,"[N-]":51,"[Li]":52,"[H]":53,"[2H]":54,"[NH4+]":55,"[c-]":56,"[P-]":57,"[Cs+]":58,"[Li+]":59,"[Cs]":60,"[NaH]":61,"[H-]":62,"[O+]":63,"[BH4-]":64,"[Cu]":65,"7":66,"[Mg]":67,"[Fe+2]":68,"[n+]":69,"[Sn]":70,"[BH-]":71,"[Pd+2]":72,"[CH]":73,"[I-]":74,"[Br-]":75,"[C-]":76,"[Zn]":77,"[B-]":78,"[F-]":79,"[Al]":80,"[P+]":81,"[BH3-]":82,"[Fe]":83,"[C]":84,"[AlH4]":85,"[Ni]":86,"[SiH]":87,"8":88,"[Cu+2]":89,"[Mn]":90,"[AlH]":91,"[nH+]":92,"[AlH4-]":93,"[O-2]":94,"[Cr]":95,"[Mg+2]":96,"[NH3+]":97,"[S@]":98,"[Pt]":99,"[Al+3]":100,"[S@@]":101,"[S-]":102,"[Ti]":103,"[Zn+2]":104,"[PH]":105,"[NH2+]":106,"[Ru]":107,"[Ag+]":108,"[S+]":109,"[I+3]":110,"[NH+]":111,"[Ca+2]":112,"[Ag]":113,"9":114,"[Os]":115,"[Se]":116,"[SiH2]":117,"[Ca]":118,"[Ti+4]":119,"[Ac]":120,"[Cu+]":121,"[S]":122,"[Rh]":123,"[Cl+3]":124,"[cH-]":125,"[Zn+]":126,"[O]":127,"[Cl+]":128,"[SH]":129,"[H+]":130,"[Pd+]":131,"[se]":132,"[PH+]":133,"[I]":134,"[Pt+2]":135,"[C+]":136,"[Mg+]":137,"[Hg]":138,"[W]":139,"[SnH]":140,"[SiH3]":141,"[Fe+3]":142,"[NH]":143,"[Mo]":144,"[CH2+]":145,"%10":146,"[CH2-]":147,"[CH2]":148,"[n-]":149,"[Ce+4]":150,"[NH-]":151,"[Co]":152,"[I+]":153,"[PH2]":154,"[Pt+4]":155,"[Ce]":156,"[B]":157,"[Sn+2]":158,"[Ba+2]":159,"%11":160,"[Fe-3]":161,"[18F]":162,"[SH-]":163,"[Pb+2]":164,"[Os-2]":165,"[Zr+4]":166,"[N]":167,"[Ir]":168,"[Bi]":169,"[Ni+2]":170,"[P@]":171,"[Co+2]":172,"[s+]":173,"[As]":174,"[P+3]":175,"[Hg+2]":176,"[Yb+3]":177,"[CH-]":178,"[Zr+2]":179,"[Mn+2]":180,"[CH+]":181,"[In]":182,"[KH]":183,"[Ce+3]":184,"[Zr]":185,"[AlH2-]":186,"[OH2+]":187,"[Ti+3]":188,"[Rh+2]":189,"[Sb]":190,"[S-2]":191,"%12":192,"[P@@]":193,"[Si@H]":194,"[Mn+4]":195,"p":196,"[Ba]":197,"[NH2-]":198,"[Ge]":199,"[Pb+4]":200,"[Cr+3]":201,"[Au]":202,"[LiH]":203,"[Sc+3]":204,"[o+]":205,"[Rh-3]":206,"%13":207,"[Br]":208,"[Sb-]":209,"[S@+]":210,"[I+2]":211,"[Ar]":212,"[V]":213,"[Cu-]":214,"[Al-]":215,"[Te]":216,"[13c]":217,"[13C]":218,"[Cl]":219,"[PH4+]":220,"[SiH4]":221,"[te]":222,"[CH3-]":223,"[S@@+]":224,"[Rh+3]":225,"[SH+]":226,"[Bi+3]":227,"[Br+2]":228,"[La]":229,"[La+3]":230,"[Pt-2]":231,"[N@@]":232,"[PH3+]":233,"[N@]":234,"[Si+4]":235,"[Sr+2]":236,"[Al+]":237,"[Pb]":238,"[SeH]":239,"[Si-]":240,"[V+5]":241,"[Y+3]":242,"[Re]":243,"[Ru+]":244,"[Sm]":245,"*":246,"[3H]":247,"[NH2]":248,"[Ag-]":249,"[13CH3]":250,"[OH+]":251,"[Ru+3]":252,"[OH]":253,"[Gd+3]":254,"[13CH2]":255,"[In+3]":256,"[Si@@]":257,"[Si@]":258,"[Ti+2]":259,"[Sn+]":260,"[Cl+2]":261,"[AlH-]":262,"[Pd-2]":263,"[SnH3]":264,"[B+3]":265,"[Cu-2]":266,"[Nd+3]":267,"[Pb+3]":268,"[13cH]":269,"[Fe-4]":270,"[Ga]":271,"[Sn+4]":272,"[Hg+]":273,"[11CH3]":274,"[Hf]":275,"[Pr]":276,"[Y]":277,"[S+2]":278,"[Cd]":279,"[Cr+6]":280,"[Zr+3]":281,"[Rh+]":282,"[CH3]":283,"[N-3]":284,"[Hf+2]":285,"[Th]":286,"[Sb+3]":287,"%14":288,"[Cr+2]":289,"[Ru+2]":290,"[Hf+4]":291,"[14C]":292,"[Ta]":293,"[Tl+]":294,"[B+]":295,"[Os+4]":296,"[PdH2]":297,"[Pd-]":298,"[Cd+2]":299,"[Co+3]":300,"[S+4]":301,"[Nb+5]":302,"[123I]":303,"[c+]":304,"[Rb+]":305,"[V+2]":306,"[CH3+]":307,"[Ag+2]":308,"[cH+]":309,"[Mn+3]":310,"[Se-]":311,"[As-]":312,"[Eu+3]":313,"[SH2]":314,"[Sm+3]":315,"[IH+]":316,"%15":317,"[OH3+]":318,"[PH3]":319,"[IH2+]":320,"[SH2+]":321,"[Ir+3]":322,"[AlH3]":323,"[Sc]":324,"[Yb]":325,"[15NH2]":326,"[Lu]":327,"[sH+]":328,"[Gd]":329,"[18F-]":330,"[SH3+]":331,"[SnH4]":332,"[TeH]":333,"[Si@@H]":334,"[Ga+3]":335,"[CaH2]":336,"[Tl]":337,"[Ta+5]":338,"[GeH]":339,"[Br+]":340,"[Sr]":341,"[Tl+3]":342,"[Sm+2]":343,"[PH5]":344,"%16":345,"[N@@+]":346,"[Au+3]":347,"[C-4]":348,"[Nd]":349,"[Ti+]":350,"[IH]":351,"[N@+]":352,"[125I]":353,"[Eu]":354,"[Sn+3]":355,"[Nb]":356,"[Er+3]":357,"[123I-]":358,"[14c]":359,"%17":360,"[SnH2]":361,"[YH]":362,"[Sb+5]":363,"[Pr+3]":364,"[Ir+]":365,"[N+3]":366,"[AlH2]":367,"[19F]":368,"%18":369,"[Tb]":370,"[14CH]":371,"[Mo+4]":372,"[Si+]":373,"[BH]":374,"[Be]":375,"[Rb]":376,"[pH]":377,"%19":378,"%20":379,"[Xe]":380,"[Ir-]":381,"[Be+2]":382,"[C+4]":383,"[RuH2]":384,"[15NH]":385,"[U+2]":386,"[Au-]":387,"%21":388,"%22":389,"[Au+]":390,"[15n]":391,"[Al+2]":392,"[Tb+3]":393,"[15N]":394,"[V+3]":395,"[W+6]":396,"[14CH3]":397,"[Cr+4]":398,"[ClH+]":399,"b":400,"[Ti+6]":401,"[Nd+]":402,"[Zr+]":403,"[PH2+]":404,"[Fm]":405,"[N@H+]":406,"[RuH]":407,"[Dy+3]":408,"%23":409,"[Hf+3]":410,"[W+4]":411,"[11C]":412,"[13CH]":413,"[Er]":414,"[124I]":415,"[LaH]":416,"[F]":417,"[siH]":418,"[Ga+]":419,"[Cm]":420,"[GeH3]":421,"[IH-]":422,"[U+6]":423,"[SeH+]":424,"[32P]":425,"[SeH-]":426,"[Pt-]":427,"[Ir+2]":428,"[se+]":429,"[U]":430,"[F+]":431,"[BH2]":432,"[As+]":433,"[Cf]":434,"[ClH2+]":435,"[Ni+]":436,"[TeH3]":437,"[SbH2]":438,"[Ag+3]":439,"%24":440,"[18O]":441,"[PH4]":442,"[Os+2]":443,"[Na-]":444,"[Sb+2]":445,"[V+4]":446,"[Ho+3]":447,"[68Ga]":448,"[PH-]":449,"[Bi+2]":450,"[Ce+2]":451,"[Pd+3]":452,"[99Tc]":453,"[13C@@H]":454,"[Fe+6]":455,"[c]":456,"[GeH2]":457,"[10B]":458,"[Cu+3]":459,"[Mo+2]":460,"[Cr+]":461,"[Pd+4]":462,"[Dy]":463,"[AsH]":464,"[Ba+]":465,"[SeH2]":466,"[In+]":467,"[TeH2]":468,"[BrH+]":469,"[14cH]":470,"[W+]":471,"[13C@H]":472,"[AsH2]":473,"[In+2]":474,"[N+2]":475,"[N@@H+]":476,"[SbH]":477,"[60Co]":478,"[AsH4+]":479,"[AsH3]":480,"[18OH]":481,"[Ru-2]":482,"[Na-2]":483,"[CuH2]":484,"[31P]":485,"[Ti+5]":486,"[35S]":487,"[P@@H]":488,"[ArH]":489,"[Co+]":490,"[Zr-2]":491,"[BH2-]":492,"[131I]":493,"[SH5]":494,"[VH]":495,"[B+2]":496,"[Yb+2]":497,"[14C@H]":498,"[211At]":499,"[NH3+2]":500,"[IrH]":501,"[IrH2]":502,"[Rh-]":503,"[Cr-]":504,"[Sb+]":505,"[Ni+3]":506,"[TaH3]":507,"[Tl+2]":508,"[64Cu]":509,"[Tc]":510,"[Cd+]":511,"[1H]":512,"[15nH]":513,"[AlH2+]":514,"[FH+2]":515,"[BiH3]":516,"[Ru-]":517,"[Mo+6]":518,"[AsH+]":519,"[BaH2]":520,"[BaH]":521,"[Fe+4]":522,"[229Th]":523,"[Th+4]":524,"[As+3]":525,"[NH+3]":526,"[P@H]":527,"[Li-]":528,"[7NaH]":529,"[Bi+]":530,"[PtH+2]":531,"[p-]":532,"[Re+5]":533,"[NiH]":534,"[Ni-]":535,"[Xe+]":536,"[Ca+]":537,"[11c]":538,"[Rh+4]":539,"[AcH]":540,"[HeH]":541,"[Sc+2]":542,"[Mn+]":543,"[UH]":544,"[14CH2]":545,"[SiH4+]":546,"[18OH2]":547,"[Ac-]":548,"[Re+4]":549,"[118Sn]":550,"[153Sm]":551,"[P+2]":552,"[9CH]":553,"[9CH3]":554,"[Y-]":555,"[NiH2]":556,"[Si+2]":557,"[Mn+6]":558,"[ZrH2]":559,"[C-2]":560,"[Bi+5]":561,"[24NaH]":562,"[Fr]":563,"[15CH]":564,"[Se+]":565,"[At]":566,"[P-3]":567,"[124I-]":568,"[CuH2-]":569,"[Nb+4]":570,"[Nb+3]":571,"[MgH]":572,"[Ir+4]":573,"[67Ga+3]":574,"[67Ga]":575,"[13N]":576,"[15OH2]":577,"[2NH]":578,"[Ho]":579,"[Cn]":580}