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Search results for autoencoder molecule

9 search results found

Keras Molecules ⭐ 448

Autoencoder network for learning a continuous representation of molecular structures.

Grammarvae ⭐ 189

Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925

Molecule Autoencoder ⭐ 119

A project to enable optimization of molecules by transforming them to and from a continuous representation.

Deep Drug Coder ⭐ 75

A tensorflow.keras generative neural network for de novo drug design, published in Nature Machine Intelligence while working at AstraZeneca.

code for Syntax-Directed Variational Autoencoder that generates programs and molecues

github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"

Re Balanced Vae ⭐ 10

Code for our paper Re-balancing Variational Autoencoder Loss for Molecule Sequence Generation.

Accelerated_sampling_with_autoencoder ⭐ 10

Accelerated sampling framework with autoencoder-based method

Variational Autoencoder for Molecules

Carbon_molecule_autoencoder Master ⭐ 6

A Carbon molecule autoencoder neural network

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1-9 of 9 search results

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