How to use gbyuvd/ChemEmbed-v01 with sentence-transformers:
from sentence_transformers import SentenceTransformer model = SentenceTransformer("gbyuvd/ChemEmbed-v01") sentences = [ "[O][=C][Branch2][Branch2][Ring1][O][C][C][Branch2][Ring1][=Branch1][O][C][=Branch1][C][=O][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C][C][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][C][Branch2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring2][Ring1][Branch1][O][C][O][C][Branch1][Ring1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][Ring1][#Branch2][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C]", "[O][=C][Branch2][Ring1][N][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#Branch2][O]", "[O][=C][Branch1][C][O][C][=C][Branch1][C][C][C][C][=Branch1][C][=O][O][C]", "[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][Branch1][C][O][C][Branch1][C][O][C][Branch1][C][O][C][#C][C][Branch1][C][O][C][C][C][C]" ] embeddings = model.encode(sentences) similarities = model.similarity(embeddings, embeddings) print(similarities.shape) # [4, 4]
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