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chemical_vae
chemical_vae PublicCode for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow
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stoned-selfies
stoned-selfies PublicThis repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
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Code and data for "Rational Design of Organic Molecules with Inverted Gaps between First Excited Singlet and Triplet".
aspuru-guzik-group/Rational-design-of-organic-molecules-with-inverted-gaps’s past year of commit activity - Artificial-Design-of-Organic-Emitters Public
Code and data for "Artificial Design of Organic Emitters via a Genetic Algorithm Enhanced by a Deep Neural Network".
aspuru-guzik-group/Artificial-Design-of-Organic-Emitters’s past year of commit activity - stoned-selfies Public
This repository contains code for the paper: Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
aspuru-guzik-group/stoned-selfies’s past year of commit activity