A transfer-learned hierarchical variational autoencoder model for computational design of anticancer peptides.. If you have the appropriate software installed, you can download article citation data ...

Explore benchtop XRD technology, its applications across industries, and how modern software and hardware innovations are making XRD more accessible.

Autoencoder models of source code are an emerging alternative to autoregressive large language models with important benefits for genetic improvement of software. We hypothesize that encoder-decoder ...

Article citations More>> Jin, W., Barzilay, R. and Jaakkola, T. (2018) Junction Tree Variational Autoencoder for Molecular Graph Generation. International Conference on Machine Learning, Stockholm, 10 ...

Existing methods usually utilize Variational AutoEncoder (VAE) network, which might lead to poor detail reconstruction and high computational complexity. To address these issues, we propose a ...

In this article, we propose a self-augmentation strategy for improving ML-based device modeling using variational autoencoder (VAE)-based techniques. These techniques require a small number of ...

X-ray diffraction (XRD) is an experimental technique to discern the atomic structure of a material by irradiating it with x-rays at different angles. Essentially, the intensity of the reflected x ...

Molecular dynamics (MD) simulations have been actively used in the study of protein structure and function. However, extensive sampling in the protein conformational space requires large computational ...