GNNExplainer implementation using DGL
☆31Mar 10, 2021Updated 5 years ago
Alternatives and similar repositories for GNNExplainer_DGL
Users that are interested in GNNExplainer_DGL are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Official implementation of GraphMask as presented in our paper Interpreting Graph Neural Networks for NLP With Differentiable Edge Maskin…☆45Apr 23, 2021Updated 4 years ago
- ☆11Nov 11, 2023Updated 2 years ago
- Target prediction☆13May 8, 2020Updated 5 years ago
- ☆14Aug 5, 2024Updated last year
- ☆10Dec 26, 2023Updated 2 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.
- gnn explainer☆1,038Aug 30, 2024Updated last year
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- ☆15Jun 21, 2022Updated 3 years ago
- clash☆20Feb 14, 2026Updated last month
- ☆49Sep 12, 2017Updated 8 years ago
- ☆16Apr 30, 2025Updated 10 months ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 3 years ago
- ☆23Oct 6, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 3 years ago
- ☆13Jul 13, 2019Updated 6 years ago
- a robust metric (robust fidelity) for XGNN (ICLR24)☆12Jun 3, 2025Updated 9 months ago
- Uncertainty quantification of molecular property prediction using Bayesian deep learning☆46Feb 14, 2019Updated 7 years ago
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Mar 20, 2026Updated last week
- pKAI: a fast and interpretable deep learning approach to accurate electrostatics-driven pKa prediction☆31Sep 16, 2021Updated 4 years ago
- Pretrained SMILES transformation model for finetuning for diverse molecular tasks.☆55Feb 22, 2022Updated 4 years ago
- ☆16Sep 13, 2025Updated 6 months ago
- Papers about explainability of GNNs☆796Mar 5, 2026Updated 3 weeks ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Code for training and inference for multitask graph convolutional networks☆25Sep 3, 2020Updated 5 years ago
- Implementation of ReSimNet for drug response similarity prediction☆40Dec 20, 2023Updated 2 years ago
- Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on☆24Jun 17, 2024Updated last year
- quantum chemistry common driver and databases☆16Dec 6, 2022Updated 3 years ago
- HiCOPS: Computational framework for peptide identification from MS data through accelerated database search☆10Mar 24, 2023Updated 3 years ago
- ☆12Jul 28, 2022Updated 3 years ago
- Ensemble learning with graph neural networks for disease module discovery and classification☆11Nov 5, 2023Updated 2 years ago
- Python library for training, evaluating, using deep learning for industrial monitoring tasks.☆10Sep 26, 2024Updated last year
- Learning with uncertainty for biological discovery and design☆34Mar 24, 2023Updated 3 years ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- [ICML 2023] Structural Re-weighting Improves Graph Domain Adaptation (StruRW)☆22Jun 20, 2023Updated 2 years ago
- ACGCN: Graph Convolutional Networks for Activity Cliff Prediction Between Matched Molecular Pairs (Park et al., 2022)☆20Feb 10, 2023Updated 3 years ago
- 💊 Molecular informatics toolkit with integration of bioinformatics and cheminformatics tools for drug discovery☆37Sep 18, 2024Updated last year
- Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml…☆51Dec 8, 2022Updated 3 years ago
- Implements the blood brain barrier score described in: J. Med. Chem. 2019, 62, 21, 9824-9836 (https://doi.org/10.1021/acs.jmedchem.9b0122…☆14Sep 27, 2020Updated 5 years ago
- ☆13Jul 24, 2025Updated 8 months ago
- Open Drug Discovery Toolkit (ODDT) Notebooks 101☆20Jun 22, 2018Updated 7 years ago