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wudejian789/
MolMetaLM-small

Name: MolMetaLM-small
Availability: InStock

safetensors

llama

Molecule Language Model

Physicochemical Knowledge

text-generation

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Usage

refer to https://github.com/CSUBioGroup/MolMetaLM for more details.

Prepare tokenizer and model

python

from transformers import AutoTokenizer, AutoModel
tokenizer = AutoTokenizer.from_pretrained('wudejian789/MolMetaLM-small')
model = AutoModel.from_pretrained('wudejian789/MolMetaLM-small')

Obtain molecular representations from SMILES

python

smi = "COc1cc2c(cc1OC)CC([NH3+])C2"
tokenized_smi = tokenizer(" ".join(list(smi)), return_token_type_ids=False, 
                          return_tensors='pt', max_length=512, padding='longest', truncation=True)
emb_smi = model(**tokenized_smi).last_hidden_state
print(emb_smi.shape) # batch size, seq length, embedding size