Fig. 1: GT4SD overview and structure.
From: Accelerating material design with the generative toolkit for scientific discovery
The library implements pipelines for the inference and training of generative models. In addition, GT4SD offers utilities for algorithm versioning and sharing for broader usage in the community. The standardised interface enables algorithm instantiation and runs for generating samples with less than five lines of code (top, left panel). Furthermore, the CLI tools ease the run of a full discover pipeline in the terminal (top, right panel). The library provides (bottom, from left to right) algorithms for inference, a CLI utility, target domains, a property prediction interface, interfaces and implementations of generative modelling frameworks and training pipelines. In the blue box, we provide a sample of available frameworks and methodologies for inference algorithms.
