Literature of deep learning for graphs in Chemistry and Biology
☆205Dec 10, 2020Updated 5 years ago
Alternatives and similar repositories for DL4MolecularGraph
Users that are interested in DL4MolecularGraph are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Three-Dimensionally Embedded Graph Convolutional Network (3DGCN) for Molecule Interpretation☆54Apr 22, 2019Updated 7 years ago
- Python package for graph neural networks in chemistry and biology☆808Nov 1, 2023Updated 2 years ago
- Hierarchical Inter-Message Passing for Learning on Molecular Graphs☆80Dec 7, 2021Updated 4 years ago
- ☆102Apr 28, 2020Updated 6 years ago
- The official implementation of the Molecule Attention Transformer.☆254Apr 1, 2020Updated 6 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.
- Junction Tree Variational Autoencoder for Molecular Graph Generation (ICML 2018)☆564Dec 1, 2022Updated 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
- Hierarchical Generation of Molecular Graphs using Structural Motifs☆441Jun 28, 2022Updated 4 years ago
- Graph neural networks for molecular design.☆381Mar 11, 2023Updated 3 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆2,432Aug 4, 2026Updated last week
- ☆50Jan 6, 2020Updated 6 years ago
- ☆38Mar 21, 2021Updated 5 years ago
- Generative models of chemical data for PaccMann^RL☆13Jun 2, 2023Updated 3 years ago
- Mol-CycleGAN - a generative model for molecular optimization☆76Feb 6, 2019Updated 7 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.
- ScaffoldGraph is an open-source cheminformatics library, built using RDKit and NetworkX, for the generation and analysis of scaffold netw…☆202Jan 27, 2022Updated 4 years ago
- Learning Neural Generative Dynamics for Molecular Conformation Generation (ICLR 2021)☆47Aug 3, 2021Updated 5 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago
- Two algorithms to fragment molecules into specified molecular subunits (e.g. functional groups)☆35Feb 15, 2022Updated 4 years ago
- Make valid molecular graphs!☆23Mar 8, 2024Updated 2 years ago
- ☆59Nov 21, 2018Updated 7 years ago
- Descriptor computation(chemistry) and (optional) storage for machine learning☆280Oct 26, 2024Updated last year
- Graph Convolutional Network tools for life science☆11Nov 20, 2020Updated 5 years ago
- G-SchNet - a generative model for 3d molecular structures☆144Mar 24, 2023Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- A PyTorch Implementation of "Optimization of Molecules via Deep Reinforcement Learning".☆84Mar 24, 2023Updated 3 years ago