FEP	Free energy perturbation
MD	Molecular dynamics
GPU	Graphics processing unit
CASF	Comparative assessment of scoring functions
3-D-CNN	3D convolutional neural network
Conv3D	3D convolutional neural network layer
AK-score	Arontier-Kangwon docking scoring function
BN	Batch normalization
RL	Residual layer
ReLU	Rectified linear unit
MAE	Mean absolute error
PI	Predictive index
RMSE	Root mean squared error