https://github.com/osmoai/publications
Tip revision: 1643707e8e4d7e1d269084c441fceec746b5e634 authored by Rick Gerkin on 30 March 2023, 18:38:17 UTC
Added requirements files
Added requirements files
Tip revision: 1643707
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