sentence-transformers How to use Derify/ChemMRL-beta with sentence-transformers:
from sentence_transformers import SentenceTransformer
model = SentenceTransformer("Derify/ChemMRL-beta")
sentences = [
"CC1CCc2c(N)nc(C3CCCC3)n2C1",
"CC1CCc2c(N)nc(OC3CC3)n2C1",
"CN1CC[NH+](C[C@H](O)C2CC2)C2(CCCCC2)C1",
"Cc1c(F)cc(CNCC2CCC(C3CCC(C)CO3)CO2)cc1F"
]
embeddings = model.encode(sentences)
similarities = model.similarity(embeddings, embeddings)
print(similarities.shape)
# [4, 4] 
