GitHub

An Open-source Drug Discovery Engine

OpenDDE is a preview release. CLI flags, input/output JSON fields, and released checkpoints may change between versions, and predictions are not guaranteed to be reproducible across releases. It is ...
GitHub

Wasserstein Weisfeiler-Lehman graph kernel with Gaussian Process Regression (WWL-GPR)

This software package provides the implementation of the WWL-GPR model, a data-efficient, physics-inspired machine learning (ML) model for the prediction of binding motifs and associated adsorption ...
IEEE

Optimal Machine-Learning-Based Controller for Shunt Active Power Filter by Auto Machine Learning

Abstract: This article proposes a machine-learning (ML)-based controller for shunt active power filter (SAPF). ML design had always been suboptimal as human experts designed them, even though ML ...
C&EN

Understanding the Impacts of Biomass Blending on the Uncertainty of Hydrolyzed Sugar Yield from a Stochastic Perspective

Department of Forest Biomaterials, North Carolina State University, 2820 Faucette Drive, Raleigh, North Carolina 27606, United States ...