Researchers develop an AI-based platform that integrates reaction data with catalyst performance for the design of new ...

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical ...

Abstract: Recently, deep learning has attracted intensive attentions in electromagnetic society, especially for inverse problems. In this work, we propose two language-guided automatic design ...

CatDRX is a generative AI framework developed at Institute of Science Tokyo, which enables the design of new chemical catalysts based on the specific chemical reactions in which they are used. The ...

SVG Autoencoder - Uses a frozen representation encoder with a residual branch to compensate the information loss and a learned convolutional decoder to transfer the SVG latent space to pixel space.

VANCOUVER, British Columbia--(BUSINESS WIRE)--Variational AI, the company behind Enki™, an advanced foundation model for small molecule drug discovery, today ...

Merck & Co. has doubled down on its partnership with Variational AI, striking a deal worth up to $349 million to collaborate on small molecule candidates against two targets. Variational disclosed a ...

Abstract: Variational Autoencoder(VAE) combines the ideas of autoencoders and variational inference, introducing the concept of latent space and variational inference to endow autoencoders to generate ...

1 Department of Informatics, Systems and Communication, University of Milano-Bicocca, Milan, Italy 2 Department of Information Engineering, University of Padova, Padova, Italy Introduction: Modeling ...

Support the Transformer Encoder Layer in the middle layer of the VAE model. It can enhance the quality of the data compression. The Transformer middle layer will allows to operate on the latent space ...

Creative Commons (CC): This is a Creative Commons license. Attribution (BY): Credit must be given to the creator. A major challenge for many rare-event sampling strategies is the identification of ...