diff --git a/QMLS Code/Task 3.py b/QMLS Code/Task 3.py index 2a0ac0a..7ddbaa9 100644 --- a/QMLS Code/Task 3.py +++ b/QMLS Code/Task 3.py @@ -3,7 +3,6 @@ import torch.optim as optim import numpy as np import esm # pre-trained ESM2 model - # Define encode functions def encode(molecule): # molecule is a numpy array of shape (N, 4), where N is the number of amino acids, and 4 corresponds to x, y, z, and type