From 347076aef2040dc579b95408689c0bc3a928696f Mon Sep 17 00:00:00 2001 From: akhilsnar Date: Wed, 27 Mar 2024 18:04:10 +0100 Subject: [PATCH] created correct_sign function --- src/mobo_qm9.py | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/mobo_qm9.py b/src/mobo_qm9.py index d8f468e..2c64ffa 100644 --- a/src/mobo_qm9.py +++ b/src/mobo_qm9.py @@ -104,7 +104,8 @@ def get_surrogate_model(self, X, y, kernel_type='RBF'): return model - y_copy = y.copy() + def correct_sign(self,Y) + y_copy = Y.copy() for idx, mask in enumerate(self.params.target_bools): if not mask: y_copy[:, idx] *= -1