From 372128dd9364b800e7b8d3e1d9a14424635f99b1 Mon Sep 17 00:00:00 2001 From: Yifan Zhou Date: Mon, 12 Feb 2024 01:06:11 +0800 Subject: [PATCH] Update MLMG to MLMV.py --- QMLS Code/MLMG to MLMV.py | 1 - 1 file changed, 1 deletion(-) diff --git a/QMLS Code/MLMG to MLMV.py b/QMLS Code/MLMG to MLMV.py index f06d98d..c6cc266 100644 --- a/QMLS Code/MLMG to MLMV.py +++ b/QMLS Code/MLMG to MLMV.py @@ -3,7 +3,6 @@ import torch.optim as optim import numpy as np import esm # pre-trained ESM2 models - # Define encode function 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