From af7cdc029aba93476078d74891ce803d3bb54324 Mon Sep 17 00:00:00 2001 From: Jin Xiao Date: Mon, 4 Dec 2023 09:24:26 +0800 Subject: [PATCH] add arrow-nn --- README.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/README.md b/README.md index ea09e30..7b4f0df 100644 --- a/README.md +++ b/README.md @@ -206,6 +206,9 @@ AIRS is a collection of open-source software tools, datasets, and benchmarks ass It present an integrated non-reactive hybrid model, AMOEBA+NN, which employs the AMOEBA potential for the short- and long-range non-bonded interactions and an NNP to capture the remaining local (covalent) contributions - [LEIGNN](https://github.com/guaguabujianle/LEIGNN) A lightweight equivariant interaction graph neural network (LEIGNN) that can enable accurate and efficient interatomic potential and force predictions in crystals. Rather than relying on higher-order representations, LEIGNN employs a scalar-vector dual representation to encode equivariant feature. +- [Arrow NN](https://github.com/freecurve/interx_arrow-nn_suite) + A hybrid wide-coverage intermolecular interaction model consisting of an analytically polarizable force field combined with a short-range neural network correction for the total intermolecular interaction energy. + ## Semi-Empirical Quantum Mechanical Method - [OrbNet](https://arxiv.org/abs/2107.00299)