model.py
import pandas as pd
MODEL_FILE = './data/embeddings.csv'
MODEL_DF = pd.read_csv(MODEL_FILE, index_col=0)
def get_embs(smiles):
return MODEL_DF.loc[smiles].values
import pandas as pd
MODEL_FILE = './data/embeddings.csv'
MODEL_DF = pd.read_csv(MODEL_FILE, index_col=0)
def get_embs(smiles):
return MODEL_DF.loc[smiles].values