From 04d636df5b6cb743b1bc49ab17dd46e0ab7c7612 Mon Sep 17 00:00:00 2001 From: Phil Wang Date: Thu, 20 May 2021 09:48:46 -0700 Subject: [PATCH] let people know of bug --- README.md | 2 ++ 1 file changed, 2 insertions(+) diff --git a/README.md b/README.md index 6871207..bae921d 100644 --- a/README.md +++ b/README.md @@ -1,5 +1,7 @@ +** A bug has been discovered with the neighbor selection in the presence of masking. If you ran any experiments prior to 0.1.12 that had masking, please rerun them. 🙏 ** + ## EGNN - Pytorch Implementation of E(n)-Equivariant Graph Neural Networks, in Pytorch. May be eventually used for Alphafold2 replication. This technique went for simple invariant features, and ended up beating all previous methods (including SE3 Transformer and Lie Conv) in both accuracy and performance. SOTA in dynamical system models, molecular activity prediction tasks, etc.