27 lines
797 B
Markdown
27 lines
797 B
Markdown
---
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pipeline_tag: text-generation
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tags:
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- Molecule Language Model
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- Physicochemical Knowledge
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---
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refer to https://github.com/CSUBioGroup/MolMetaLM for more details.
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# Usage
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## Prepare tokenizer and model
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```python
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from transformers import AutoTokenizer, AutoModel
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tokenizer = AutoTokenizer.from_pretrained('wudejian789/MolMetaLM-base')
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model = AutoModel.from_pretrained('wudejian789/MolMetaLM-base')
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```
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## Obtain molecular representations from SMILES
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```python
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smi = "COc1cc2c(cc1OC)CC([NH3+])C2"
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tokenized_smi = tokenizer(" ".join(list(smi)), return_token_type_ids=False,
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return_tensors='pt', max_length=512, padding='longest', truncation=True)
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emb_smi = model(**tokenized_smi).last_hidden_state
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print(emb_smi.shape) # batch size, seq length, embedding size
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```
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