Deep generative design of porous organic cages via a variational ...

Porous organic cages (POCs) are a class of porous molecular materials characterised by their tunable, intrinsic porosity; this functional property makes ...

Porous organic cages (POCs) are a class of porous molecular materials characterised by their tunable, intrinsic porosity; this functional ...

Deep Generative Design of Porous Organic Cages via a Variational ...

Deep Generative Design of Porous Organic. Cages via a Variational Autoencoder. Jiajun Zhou, Austin Mroz, and Kim E. Jelfs. ∗. Department of Chemistry ...

Deep Generative Design of Porous Organic Cages via a Variational ...

Deep Generative Design of Porous Organic. Cages via a Variational Autoencoder. Jiajun Zhou, Austin Mroz, and Kim E. Jelfs. ∗. Department of Chemistry ...

Deep generative design of porous organic cages via a ... - OUCI

... porosity; this functional property makes them candidates for ... Deep generative design of porous organic cages via a variational autoencoder.

JiajunZhou96/Cage-VAE: Code Implementation of Deep Generative ...

Code Implementation of Deep Generative Design of Porous Organic Cages via a Variational Autoencoder - JiajunZhou96/Cage-VAE.

Deep Generative Design of Porous Organic Cages via a Variational ...

Deep Generative Design of Porous Organic Cages via a Variational Autoencoder. Overview of attention for article published in ChemRxiv, August 2023. Altmetric ...

Deep Generative Design of Porous Organic Cages via a Variational ...

Porous organic cages (POCs) are a class of porous molecular materials characterised by their tunable, intrinsic porosity; this functional property makes ...

Publications — Jelfs Computational Materials Group

“Introducing chirality in porous organic cages through solid-state interactions”, E. ... “Deep Generative Design of Porous Organic Cages via a Variational ...

Kim Jelfs Publications | Imperial College London

Deep generative design of porous organic cages via a variational autoencoder. 4 Dec 2023DIGITAL DISCOVERY2(6):1925-1936 (12 pages)ROYAL SOC CHEMISTRY.

Rediscovery of known porous organic cages with an evolutionary...

Deep Generative Design of Porous Organic Cages via a Variational Autoencoder. Preprint. Full-text available. Aug 2023. Jiajun Zhou · Austin Mroz · Kim ...

Post-synthetic modification of porous organic cages - Researcher | A

Deep Generative Design of Porous Organic Cages via a Variational Autoencoder. Jiajun Zhou, Austin Mroz, Kim E. Jelfs. Open access. Unbookmark paper Bookmark ...

Machine Learning for Organic Cage Property Prediction

Deep generative design of porous organic cages via a variational autoencoder. Digital Discovery 2023, 2 (6) , 1925-1936. https://doi.org ...

List of Molecular and Material design using Generative AI and Deep ...

Deep Generative Design of Porous Organic Cages via a Variational Autoencoder [2023] ... Generative Organic Electronic Molecular Design via Reinforcement ...

A collection of experimentally reported POCs 16-19 with different...

(a) PCA analysis of the latent space of Cage-VAE learnt by the. Deep Generative Design of Porous Organic Cages via a Variational Autoencoder. Article. Full ...

Porous Organic Cages for Gas Chromatography Separations

Deep generative design of porous organic cages via a variational autoencoder. Digital Discovery 2023, 2 (6) , 1925-1936. https://doi.org ...

Generative autoencoder to prevent overregularization of variational ...

... Deep generative design of porous organic cages via a variational autoencoder Digital Discovery 2(6): 1925-1936 · Nash, C.; Williams, C.K.I. 2017: The shape ...

Computationally-inspired discovery of an unsymmetrical porous ...

Deep generative design of porous organic cages via a variational autoencoder. Jiajun Zhou, Austin Mroz, Kim E. Jelfs. https://doi.org/10.1039 ...

porous organic cages (POCs) - Allie (アリー): 略語／展開系情報

Deep generative design of porous organic cages via a variational autoencoder. ---. 12. 2023. Isomorphous Substitution of Organic Cage Crystal by Pd ...

‪Austin Mroz‬ - ‪Google Scholar‬

Deep generative design of porous organic cages via a variational autoencoder. J Zhou, A Mroz, KE Jelfs. Digital Discovery 2 (6), 1925-1936, 2023. 1, 2023.