commit cfc3cca73a0be0568ccbe0d1ccfb9fdcbd554067
Author: ModelHub XC <noreply@modelhub.org.cn>
Date:   Fri Jun 19 14:40:13 2026 +0800

    初始化项目，由ModelHub XC社区提供模型
    
    Model: AI-ModelScope/MolGen-7b
    Source: Original Platform

diff --git a/.gitattributes b/.gitattributes
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diff --git a/README.md b/README.md
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+---
+license: apache-2.0
+pipeline_tag: text-generation
+tags:
+- chemistry
+- biology
+- text-generation-inference
+---
+
+## 💡 Model description
+This repo contains a large molecular generative model built with molecular language SELFIES.
+
+## 🔍 Intended uses
+You can use the model to generate molecules from scratch (i.e., inputting the bos_token), or input a partial structure for the model to complete.
+
+## 🛠️ How to use
+We have provided two types of examples. You can modify the input, generation parameters, etc., according to your needs.
+
+- Denovo molecule generation example:
+```python
+from modelscope import AutoTokenizer, AutoModelForCausalLM
+import torch
+
+tokenizer = AutoTokenizer.from_pretrained("AI-ModelScope/MolGen-7b")
+model = AutoModelForCausalLM.from_pretrained(
+                              "AI-ModelScope/MolGen-7b",
+                              load_in_8bit=True,
+                              torch_dtype=torch.float16,
+                              device_map="auto",
+                              )
+device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
+sf_input = tokenizer(tokenizer.bos_token, return_tensors="pt").to(device)
+
+molecules = model.generate(input_ids=sf_input["input_ids"],
+                              attention_mask=sf_input["attention_mask"],
+                              do_sample=True,
+                              max_new_tokens=10,
+                              top_p=0.75,
+                              top_k=30,
+                              return_dict_in_generate=False,
+                              num_return_sequences=5,
+                              )
+sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
+['[C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=Branch1]',
+'[C][N][C][C][C][Branch2][Ring2][Ring2][N][C]',
+'[C][O][C][=C][C][=C][C][Branch2][Ring1][Branch1]',
+'[C][N][C][C][C@H1][Branch2][Ring1][Branch2][N][Branch1]',
+'[C][=C][C][Branch2][Ring1][#C][C][=Branch1][C][=O]']
+```
+
+- Molecular completion example:
+```python
+from modelscope import AutoTokenizer, AutoModelForCausalLM
+import torch
+
+tokenizer = AutoTokenizer.from_pretrained("AI-ModelScope/MolGen-7b")
+model = AutoModelForCausalLM.from_pretrained(
+                              "AI-ModelScope/MolGen-7b",
+                              load_in_8bit=True,
+                              torch_dtype=torch.float16,
+                              device_map="auto",
+                              )
+device = torch.device("cuda" if torch.cuda.is_available() else "cpu")
+sf_input = tokenizer("[C][N][O]", return_tensors="pt").to(device)
+
+molecules = model.generate(input_ids=sf_input["input_ids"],
+                              attention_mask=sf_input["attention_mask"],
+                              do_sample=True,
+                              max_new_tokens=10,
+                              top_p=0.75,
+                              top_k=30,
+                              return_dict_in_generate=False,
+                              num_return_sequences=5,
+                              )
+sf_output = [tokenizer.decode(g, skip_special_tokens=True, clean_up_tokenization_spaces=True).replace(" ","") for g in molecules]
+['[C][N][O][C][=Branch1][C][=O][/C][Ring1][=Branch1][=C][/C][=C]',
+'[C][N][O][/C][=Branch1][#Branch1][=C][/N][Branch1][C][C][C][C]',
+'[C][N][O][/C][=C][/C][=C][C][=Branch1][C][=O][C][=C]',
+'[C][N][O][C][=Branch1][C][=O][N][Branch1][C][C][C][=Branch1]',
+'[C][N][O][Ring1][Branch1][C][C][C][C][C][C][C][C]']
+```
+
+## 📚 Citation
+If you use our repository, please cite:
+```bibtex
+@article{fang2023molecular,
+  title={Molecular Language Model as Multi-task Generator},
+  author={Fang, Yin and Zhang, Ningyu and Chen, Zhuo and Fan, Xiaohui and Chen, Huajun},
+  journal={arXiv preprint arXiv:2301.11259},
+  year={2023}
+}
+```
diff --git a/added_tokens.json b/added_tokens.json
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index 0000000..65f3046
--- /dev/null
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+  "[\\Si]": 168
+}
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--- /dev/null
+++ b/config.json
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+{
+  "_name_or_path": "/newdisk3/data/fangyin/molgen-7b",
+  "architectures": [
+    "LlamaForCausalLM"
+  ],
+  "bos_token_id": 0,
+  "eos_token_id": 2,
+  "hidden_act": "silu",
+  "hidden_size": 4096,
+  "initializer_range": 0.02,
+  "intermediate_size": 11008,
+  "max_position_embeddings": 2048,
+  "max_sequence_length": 2048,
+  "model_type": "llama",
+  "num_attention_heads": 32,
+  "num_hidden_layers": 32,
+  "num_key_value_heads": 32,
+  "pad_token_id": 1,
+  "rms_norm_eps": 1e-06,
+  "tie_word_embeddings": false,
+  "torch_dtype": "float32",
+  "transformers_version": "4.28.1",
+  "use_cache": false,
+  "vocab_size": 185
+}
diff --git a/configuration.json b/configuration.json
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--- /dev/null
+++ b/configuration.json
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+{"framework": "pytorch", "task": "text-generation", "allow_remote": true}
\ No newline at end of file
diff --git a/generation_config.json b/generation_config.json
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+  "bos_token_id": 0,
+  "eos_token_id": 2,
+  "pad_token_id": 1,
+  "transformers_version": "4.28.1",
+  "use_cache": false
+}
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diff --git a/special_tokens_map.json b/special_tokens_map.json
new file mode 100644
index 0000000..d0fd5b6
--- /dev/null
+++ b/special_tokens_map.json
@@ -0,0 +1,33 @@
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+}
diff --git a/tokenizer.json b/tokenizer.json
new file mode 100644
index 0000000..fadd146
--- /dev/null
+++ b/tokenizer.json
@@ -0,0 +1,1714 @@
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+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 171,
+      "content": "[/O-1]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 172,
+      "content": "[\\I]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 173,
+      "content": "[C@@]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 174,
+      "content": "[/OH0]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 175,
+      "content": "[P@]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 176,
+      "content": "[\\CH0]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 177,
+      "content": "[/C@H1]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 178,
+      "content": "[#Branch2]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 179,
+      "content": "[B@-1]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 180,
+      "content": "[\\S@@]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 181,
+      "content": "[#C-1]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 182,
+      "content": "[SH0]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 183,
+      "content": "[Sn+2]",
+      "single_word": false,
+      "lstrip": false,
+      "rstrip": false,
+      "normalized": true,
+      "special": false
+    },
+    {
+      "id": 184,
+      "content": "<mask>",
+      "single_word": false,
+      "lstrip": true,
+      "rstrip": false,
+      "normalized": true,
+      "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,
+    "vocab": {
+      "<s>": 0,
+      "<pad>": 1,
+      "</s>": 2,
+      "<unk>": 3
+    },
+    "merges": []
+  }
+}
\ No newline at end of file
diff --git a/tokenizer_config.json b/tokenizer_config.json
new file mode 100644
index 0000000..400dc19
--- /dev/null
+++ b/tokenizer_config.json
@@ -0,0 +1,64 @@
+{
+  "add_prefix_space": false,
+  "bos_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "clean_up_tokenization_spaces": true,
+  "cls_token": {
+    "__type": "AddedToken",
+    "content": "<s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "eos_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "errors": "replace",
+  "mask_token": {
+    "__type": "AddedToken",
+    "content": "<mask>",
+    "lstrip": true,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "model_max_length": 1024,
+  "pad_token": {
+    "__type": "AddedToken",
+    "content": "<pad>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "sep_token": {
+    "__type": "AddedToken",
+    "content": "</s>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  },
+  "tokenizer_class": "BartTokenizer",
+  "trim_offsets": true,
+  "unk_token": {
+    "__type": "AddedToken",
+    "content": "<unk>",
+    "lstrip": false,
+    "normalized": true,
+    "rstrip": false,
+    "single_word": false
+  }
+}
diff --git a/vocab.json b/vocab.json
new file mode 100644
index 0000000..ab89896
--- /dev/null
+++ b/vocab.json
@@ -0,0 +1 @@
+{"<s>":0,"<pad>":1,"</s>":2,"<unk>":3}
\ No newline at end of file