GitHub - ClickFF/NNKcat: Supplememtal materials for NNKcat publication

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commit
AttentiveFP		AttentiveFP
LSTM_epoch_Mon_May__6_12-57-25_2024_27.pth		LSTM_epoch_Mon_May__6_12-57-25_2024_27.pth
Supplemental Table 1 - database #1.csv		Supplemental Table 1 - database #1.csv
Supplemental Table 2 - Database #2A.csv		Supplemental Table 2 - Database #2A.csv
Supplemental Table 3 - feature representation of Database #1.csv		Supplemental Table 3 - feature representation of Database #1.csv
Supplemental Table 4 - Random number generated order to shuffle Database #1 .csv		Supplemental Table 4 - Random number generated order to shuffle Database #1 .csv
conda_env_packages.txt		conda_env_packages.txt
protein_processor_and_embedding_generation.py		protein_processor_and_embedding_generation.py
sascorer.py		sascorer.py
substrate_embeddings generation.py		substrate_embeddings generation.py
substrate_processor.py		substrate_processor.py