☆59Aug 20, 2021Updated 4 years ago
Alternatives and similar repositories for GraphAF
Users that are interested in GraphAF are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GraphNVP: An Invertible Flow Model for Generating Molecular Graphs☆98Jun 21, 2022Updated 3 years ago
- Official repository for "Categorical Normalizing Flows via Continuous Transformations"☆57Feb 22, 2021Updated 5 years ago
- ☆34Jun 3, 2021Updated 4 years ago
- De Novo Drug Design by Iterative Multi-Objective Deep Reinforcement Learning with graph-based Molecular Quality Assessment☆15Mar 20, 2023Updated 3 years ago
- MoFlow: an invertible flow model for generating molecular graphs☆149Mar 14, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Python wrapper for OSRA. Supports R-Group logic and integration with ChemSchematicResolver☆10Apr 4, 2020Updated 6 years ago
- Hierarchical template correction for chemical reactions☆22Aug 9, 2024Updated last year
- A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆83Mar 24, 2023Updated 3 years ago
- GraphGen: A Scalable Approach to Domain-agnostic Labeled Graph Generation☆60Jul 6, 2023Updated 2 years ago
- Code for Graph Normalizing Flows.☆64Oct 28, 2019Updated 6 years ago
- Graph Generative Model (Pytorch implementation)☆16Jun 26, 2020Updated 5 years ago
- Three-dimensional force fields fingerprints☆27Jan 11, 2022Updated 4 years ago
- ASAP-SML: An Antibody Sequence Analysis Pipeline Using Statistical Testing and Machine Learning☆11Jul 6, 2023Updated 2 years ago
- Official implementation for the paper: Permutation Invariant Graph Generation via Score-Based Generative Modeling☆115Jul 6, 2023Updated 2 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Molecule Optimization via Fragment-based Generative Models☆44Apr 4, 2023Updated 3 years ago
- CORE: Automatic Molecule Optimization using Copy & Refine Strategy (AAAI 2020)☆17Jul 17, 2023Updated 2 years ago
- Molecular De Novo design using Recurrent Neural Networks and Reinforcement Learning☆333Jul 20, 2021Updated 4 years ago
- Generative model for molecular distance geometry☆38Mar 24, 2023Updated 3 years ago
- Pytorch implementation of BionoiNet, which is a deep learning-based software to classify ligand-binding sites.☆20Jun 22, 2021Updated 4 years ago
- Code for the paper "A Deep Generative Model for Fragment-Based Molecule Generation" (AISTATS 2020)☆68Nov 13, 2022Updated 3 years ago
- Multi-Objective Molecule Generation using Interpretable Substructures (ICML 2020)☆170Sep 29, 2022Updated 3 years ago
- ☆14Sep 1, 2022Updated 3 years ago
- Supporting code for the paper «Generative molecular design in low data regimes»☆64Jun 22, 2021Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- ☆13Jun 9, 2021Updated 4 years ago
- ☆52Mar 24, 2025Updated last year
- Mol-CycleGAN - a generative model for molecular optimization☆77Feb 6, 2019Updated 7 years ago
- Tensorflow implementation of MolGAN: An implicit generative model for small molecular graphs☆294Oct 25, 2023Updated 2 years ago
- A tensorflow.keras generative neural network for de novo drug design, first-authored in Nature Machine Intelligence while working at Astr…☆190Dec 5, 2025Updated 4 months ago
- Guided Diffusion Model for Molecular Inverse Design☆20Nov 15, 2023Updated 2 years ago
- A simple tool to predict the general toxicity and calculate the synthesize accessibility (SA) score for small molecules.☆51May 7, 2025Updated 11 months ago
- LEAP is a novel tool for discovering latent temporal causal relations.☆17Oct 18, 2021Updated 4 years ago
- ☆45Oct 30, 2022Updated 3 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 years ago
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆557Dec 1, 2022Updated 3 years ago
- ☆67May 25, 2021Updated 4 years ago
- Code for the "Grammar Variational Autoencoder" https://arxiv.org/abs/1703.01925☆280Apr 16, 2020Updated 6 years ago
- ☆37Mar 31, 2023Updated 3 years ago
- Implementation for the paper: GraphGDP: Generative Diffusion Processes for Permutation Invariant Graph Generation☆32Dec 10, 2022Updated 3 years ago
- This is the repository containing the source code for my Master's thesis research, about predicting drug-target interaction using deep le…☆43Jun 18, 2019Updated 6 years ago