From 76700749daffda483ab9786d01d99c60d4dc9e2e Mon Sep 17 00:00:00 2001 From: gwirn <71886945+gwirn@users.noreply.github.com> Date: Thu, 1 Aug 2024 12:34:39 +0200 Subject: [PATCH] add description --- examples/README | 6 ++++++ 1 file changed, 6 insertions(+) create mode 100644 examples/README diff --git a/examples/README b/examples/README new file mode 100644 index 0000000..2809e13 --- /dev/null +++ b/examples/README @@ -0,0 +1,6 @@ +This branch adds functionality to create contact maps (either real distances or binary interacting/not interacting) as dataset which then can be used for training and prediction +it replaces the original coordinate dataset with the contact map dataset +needs an implementation of a method to recreate a structure from contact maps +if that is implemented in a way that it recreates a structure directly as neural net output the physics loss can probably also be used +otherwise one will need to use only the MSE loss or something like Binary Cross-Entropy if the distance matrices are binary +