Search Results for "message"

Chemprop is a repository containing message-passing neural networks for molecular property prediction.

...It bundles structural data as well as features for a better control. We provide a variety of functions for computing with graph objects including efficient and customizable message passing primitives for Graph Neural Networks.

Materials Discovery (GNoME) is a large-scale research initiative by Google DeepMind focused on applying graph neural networks to accelerate the discovery of stable inorganic crystal materials. The project centers on Graph Networks for Materials Exploration (GNoME), a message-passing neural network architecture trained on density functional theory (DFT) data to predict material stability and energy formation. Using GNoME, DeepMind identified 381,000 new stable materials, later expanding the dataset to include over 520,000 materials within 1 meV/atom of the convex hull as of August 2024. The repository provides datasets, model definitions, and interactive Colabs for exploring these materials, computing decomposition energies, and visualizing chemical families. ...

ClearML is an open source platform that automates and simplifies developing and managing machine learning solutions for thousands of data science teams all over the world. It is designed as an end-to-end MLOps suite allowing you to focus on developing your ML code & automation, while ClearML ensures your work is reproducible and scalable. The ClearML Python Package for integrating ClearML into your existing scripts by adding just two lines of code, and optionally extending your experiments...

The AWS-IoT-Arduino-Yún-SDK allows developers to connect their Arduino Yún compatible Board to AWS IoT. By connecting the device to the AWS IoT, users can securely work with the message broker, rules and the Thing Shadow provided by AWS IoT and with other AWS services like AWS Lambda, Amazon Kinesis, Amazon S3, etc. The AWS-IoT-Arduino-Yún-SDK consists of two parts, which take use of the resources of the two chips on Arduino Yún, one for native Arduino IDE API access and the other for functionality and connections to the AWS IoT built on top of AWS IoT Device SDK for Python. ...