From 348c97651b1b23146ce1277061a2e9ec016b68b1 Mon Sep 17 00:00:00 2001 From: Nikhil Shenoy Date: Thu, 2 Mar 2023 22:14:40 -0800 Subject: [PATCH] Added non-tetrahedral features --- ogb/utils/features.py | 5 +++++ 1 file changed, 5 insertions(+) diff --git a/ogb/utils/features.py b/ogb/utils/features.py index 442173b6..4ffb53cf 100644 --- a/ogb/utils/features.py +++ b/ogb/utils/features.py @@ -6,6 +6,11 @@ 'CHI_TETRAHEDRAL_CW', 'CHI_TETRAHEDRAL_CCW', 'CHI_OTHER', + 'CHI_TETRAHEDRAL', + 'CHI_ALLENE', + 'CHI_SQUAREPLANAR', + 'CHI_TRIGONALBIPYRAMIDAL', + 'CHI_OCTAHEDRAL', 'misc' ], 'possible_degree_list' : [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, 'misc'],