IEEE

Explaining Deep Graph Networks via Input Perturbation

Abstract: Deep graph networks (DGNs) are a family of machine learning models for structured data which are finding heavy application in life sciences (drug repurposing, molecular property predictions) ...
C&EN

Smart Reaction Templating: A Graph-Based Method for Automated Molecular Dynamics Input Generation

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. Accurately modeling chemical reactions in molecular dynamics simulations requires ...
GitHub

Fake Volumetric Light Shader

A simple fake volumetric light shader effect. It was created for Serious Point Games as part of my studies in shader development. It was created for Unity 6 URP (6000.0.58f1) but it can work in other ...
C&EN

Node-Aligned Graph-to-Graph: Elevating Template-free Deep Learning Approaches in Single-Step Retrosynthesis

The single-step retrosynthesis (SSR) (1) is an essential operation in organic chemistry involving the reversed synthesis of a target product or intermediate in a single step. To achieve automatic ...
AppleInsider

Building for Apple Vision Pro: Using the visionOS sample code

The Apple Vision Pro will bring an entirely new class of spatial apps to users. Here's how to get started by checking out Apple's sample code. When Apple introduced the Apple Vision Pro and visionOS ...
IEEE

Consensus of Multi-Agent Systems with Asymmetric Input Saturation over Directed Graph

Abstract: In this paper, the consensus issue of continuous-time first-order multi-agent systems (MASs) subject to asymmetric input saturation under the directed graph containing a directed spanning ...