☆358Oct 12, 2022Updated 4 years ago
Alternatives and similar repositories for rl_graph_generation
Users that are interested in rl_graph_generation are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆564Dec 1, 2022Updated 3 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆294Oct 25, 2023Updated 3 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
- Learning Multimodal Graph-to-Graph Translation for Molecular Optimization (ICLR 2019)☆151Jan 29, 2019Updated 7 years ago
- Mol-CycleGAN - a generative model for molecular optimization☆76Feb 6, 2019Updated 7 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- GraphRNN: Generating Realistic Graphs with Deep Auto-regressive Models☆734Jan 20, 2022Updated 4 years ago
- A novel hybrid method for generating molecules with desired property scores.☆42Oct 26, 2021Updated 5 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆174Oct 29, 2018Updated 8 years ago
- A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆85Mar 24, 2023Updated 3 years ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆335Jul 20, 2021Updated 5 years ago
- RL-GraphINVENT is a platform for graph-based targeted molecular generation using graph neural networks and reinforcement learning. RL-Gra…☆80May 11, 2023Updated 3 years ago
- Code and data for "NeVAE: A Deep Generative Model for Molecular Graphs", AAAI 2019☆56Nov 22, 2019Updated 6 years ago
- Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models☆996Jul 8, 2024Updated 2 years ago
- Sample code for Constrained Graph Variational Autoencoders☆240Jun 3, 2023Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ☆430Mar 8, 2019Updated 7 years ago
- Benchmarks for generative chemistry☆535Feb 11, 2024Updated 2 years ago
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆99Jun 21, 2022Updated 4 years ago
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆446Jun 28, 2022Updated 4 years ago
- ☆63May 2, 2019Updated 7 years ago
- ☆429Apr 18, 2022Updated 4 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆169Sep 29, 2022Updated 4 years ago
- Deep Reinforcement Learning for de-novo Drug Design☆374Dec 8, 2021Updated 4 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
- 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.
- This project is a reimplementation of the models introduced in the following papers: "Multiobjective de novo drug design with recurrent n…☆20Jul 9, 2022Updated 4 years ago
- Graph neural networks for molecular design.☆380Mar 11, 2023Updated 3 years ago
- code for Syntax-Directed Variational Autoencoder that generates programs and molecues☆81Sep 12, 2018Updated 8 years ago
- Baselines models for GuacaMol benchmarks☆145Feb 16, 2024Updated 2 years ago
- Implementation of MolSearch paper☆24Sep 9, 2023Updated 3 years ago
- github for "Molecular generative model based on conditional variational autoencoder for de novo molecular design"☆109Mar 20, 2022Updated 4 years ago
- Code for 10.1021/acscentsci.7b00572, now running on Keras 2.0 and Tensorflow☆564Mar 24, 2023Updated 3 years ago
- Code for memory-assisted reinforcement learning☆24Oct 19, 2020Updated 6 years ago
- ☆13Nov 15, 2020Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Code accompanying the paper "Deep reinforcement learning for multiparameter optimization in de novo drug design"☆72Apr 5, 2021Updated 5 years ago
- ☆378May 24, 2025Updated last year
- Novel molecules from a reference shape!☆84Jan 30, 2024Updated 2 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆56Feb 27, 2022Updated 4 years ago
- Efficient Graph Generation with Graph Recurrent Attention Networks, Deep Generative Model of Graphs, Graph Neural Networks, NeurIPS 2019☆485Aug 3, 2023Updated 3 years ago
- Data and models (with prediction scripts) used in publications related to Apollo1060 platform☆64Jun 17, 2024Updated 2 years ago
- Molecular Generation for Desired Transcriptome Changes with Adversarial Autoencoders☆54Jul 17, 2026Updated 3 months ago