sentence-transformers How to use kiarashmo/chembberta-77m-sBERT-finetuned-on-clintox-with-sBERTBatchAllTripletLoss with sentence-transformers:
from sentence_transformers import SentenceTransformer
model = SentenceTransformer("kiarashmo/chembberta-77m-sBERT-finetuned-on-clintox-with-sBERTBatchAllTripletLoss")
sentences = [
"CC(C)CNCc1ccc(-c2ccccc2S(=O)(=O)N2CCCC2)cc1",
"C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)CC8C(CC9OC(CCC1O2)CC(C)C9=C)OC(CC(O)CN)C8OC)OC7C6O3)C5O4",
"C[NH+](C)CCC=C1c2ccccc2CCc2ccccc21",
"CC(C)Cn1cnc2c(N)nc3ccccc3c21"
]
embeddings = model.encode(sentences)
similarities = model.similarity(embeddings, embeddings)
print(similarities.shape)
# [4, 4] 
