From 6d82d894833f969c55d13c72654f291730d98232 Mon Sep 17 00:00:00 2001 From: Matthias Kellner <62180584+bananenpampe@users.noreply.github.com> Date: Fri, 6 Feb 2026 22:22:25 +0100 Subject: [PATCH] Update README with quick prediction link Added a section for quick chemical shielding predictions. --- README.md | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/README.md b/README.md index 9b91367..50f531c 100644 --- a/README.md +++ b/README.md @@ -6,6 +6,10 @@ Welcome to ShiftML, a python package for the prediction of chemical shieldings of organic solids and beyond. +## Looking for quick chemical shielding predictions from your browser? + +Please visit [shiftml.org](shiftml.org) ! + ## Usage Use ShiftML with the atomistic simulation environment to obtain fast estimates of chemical shieldings: