Objective-Reinforced Generative Adversarial Networks (ORGAN) for Sequence Generation Models
☆241Mar 24, 2023Updated 3 years ago
Alternatives and similar repositories for ORGAN
Users that are interested in ORGAN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Code repo for optimizing distributions of molecules.☆131Apr 9, 2019Updated 7 years ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆336Jul 20, 2021Updated 5 years ago
- Code for "Multi-Objective De Novo Drug Design with Conditional Graph Generative Model" (https://arxiv.org/abs/1801.07299)☆138Dec 7, 2018Updated 7 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆294Oct 25, 2023Updated 3 years ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆564Dec 1, 2022Updated 3 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow☆564Mar 24, 2023Updated 3 years ago
- Autoencoder network for learning a continuous representation of molecular structures.☆532Aug 2, 2024Updated 2 years ago
- A project to enable optimization of molecules by transforming them to and from a continuous representation.☆156Mar 17, 2017Updated 9 years ago
- Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925☆282Apr 16, 2020Updated 6 years ago
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆996Jul 8, 2024Updated 2 years ago
- A Recurrent Neural Network implementation that uses SMILES strings to generate molecules from GDB-13☆30Jul 4, 2019Updated 7 years ago
- Implementation of Sequence Generative Adversarial Nets with Policy Gradient☆2,092Mar 10, 2019Updated 7 years ago
- Molecular AutoEncoder in PyTorch☆94Jan 16, 2026Updated 9 months ago
- Convolutional nets which can take molecular graphs of arbitrary size as input.☆501Jan 23, 2018Updated 8 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆174Oct 29, 2018Updated 8 years ago
- Automated de novo design of drug-like molecular libraries based on deep learning multi-objective optimization☆14Apr 29, 2020Updated 6 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆374Dec 8, 2021Updated 4 years ago
- Keras-based implementation of neural fingerprints, operating on molecular graphs of arbitrary size☆24Oct 8, 2016Updated 10 years ago
- Graph-based genetic algorithm☆96Jun 15, 2021Updated 5 years ago
- Baselines models for GuacaMol benchmarks☆145Feb 16, 2024Updated 2 years ago
- Benchmarks for generative chemistry☆535Feb 11, 2024Updated 2 years ago
- Deep learning toolkit for Drug Design with Pareto-based Multi-Objective optimization in Polypharmacology☆219Jul 6, 2023Updated 3 years ago
- ☆53Feb 26, 2017Updated 9 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- ☆51May 25, 2024Updated 2 years ago
- Supporting Information of Publications☆14Mar 24, 2019Updated 7 years ago
- ☆50Sep 12, 2017Updated 9 years ago
- Code for our paper "A Model to Search for Synthesizable Molecules" (https://arxiv.org/abs/1906.05221)☆82Jul 17, 2023Updated 3 years ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 5 years ago
- ☆358Oct 12, 2022Updated 4 years ago
- Keras implementation of Neural Graph Fingerprints as proposed by Duvenaud et al., 2015☆46Jan 25, 2019Updated 7 years ago
- Ipython notebook for blog post entry☆12Jul 12, 2017Updated 9 years ago
- Code for training and evaluation of the model from "Language Generation with Recurrent Generative Adversarial Networks without Pre-traini…☆250Apr 11, 2018Updated 8 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- MCMG_V1☆78Nov 26, 2022Updated 3 years ago
- Open Drug Discovery Toolkit☆476Updated this week
- CReM: chemically reasonable mutations framework☆288Sep 23, 2026Updated last month
- ☆31Jun 29, 2018Updated 8 years ago
- Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology☆7,115Aug 20, 2026Updated 2 months ago
- Platforms to predict reactivity for substitution reactions.☆23May 8, 2021Updated 5 years ago
- Large-scale language model used for optimizing molecules☆11Mar 11, 2026Updated 7 months ago