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]
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