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:
- ☆56Aug 24, 2020Updated 6 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 6 years ago
- ☆11Nov 11, 2023Updated 2 years ago
- Prediction of pKa from chemical structure using machine learning approaches，molecular similarity and so on☆24Jun 17, 2024Updated 2 years ago
- Python library for training, evaluating, using deep learning for industrial monitoring tasks.☆10Sep 26, 2024Updated 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.
- The repository contains the data and the codes for the manuscript "Relational graph convolutional networks for predicting blood-brain bar…☆15May 21, 2025Updated last year
- ☆10Dec 26, 2023Updated 2 years ago
- ☆26Dec 4, 2019Updated 6 years ago
- Pytorch implementation of Pocket2Drug: a generative deep learning model to predict binding drugs for ligand-binding sites.☆22May 19, 2022Updated 4 years ago
- ☆15Sep 22, 2026Updated last month
- Target prediction☆14May 8, 2020Updated 6 years ago
- ☆50Sep 12, 2017Updated 9 years ago
- This module includes functions that can be used to simulate mechanochemical phenomena.☆11Nov 16, 2021Updated 4 years ago
- KDD2024: This is the code for the paper "Propagation Structure-aware Graph Transformer for Robust and Interpretable Fake News Detection"☆12Aug 31, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Protein-Ligand Interaction Fingerprints☆21Dec 23, 2020Updated 5 years ago
- ☆13Jul 13, 2019Updated 7 years ago
- Uncertainty quantification of molecular property prediction using Bayesian deep learning☆46Feb 14, 2019Updated 7 years ago
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 4 years ago
- ☆23Oct 6, 2022Updated 4 years ago
- Fragment Graphical Variational AutoEncoding for Screening and Generating Molecules☆14Nov 21, 2022Updated 3 years ago
- Graph Inference on MoLEcular Topology☆26Mar 25, 2023Updated 3 years ago
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Updated this week
- User interface to reanalyze and explore all public data in Metabolomics Public Data☆12Oct 18, 2023Updated 3 years ago
- AI Agents on 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.
- Parameterized Explainer for Graph Neural Network☆146Feb 23, 2024Updated 2 years ago
- Some demos using Nvidia RAPIDS for Cheminformatics☆14Aug 17, 2020Updated 6 years ago
- Code for training and inference for multitask graph convolutional networks☆25Sep 3, 2020Updated 6 years ago
- ☆17Sep 25, 2026Updated last month
- Track Deadlines of AI/ML Conferences☆16Sep 28, 2026Updated last month
- Implementation of ReSimNet for drug response similarity prediction☆40Dec 20, 2023Updated 2 years ago
- Pytorch implementation for NeurIPS-23:"GNNEvaluator: Evaluating GNN Performance On Unseen Graphs Without Labels"☆19Mar 21, 2024Updated 2 years ago
- Daily tracker for frontier AI lab papers, model cards, system cards, and technical reports☆14Updated this week
- HiCOPS: Computational framework for peptide identification from MS data through accelerated database search☆10Mar 24, 2023Updated 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.
- ☆12Jul 28, 2022Updated 4 years ago
- Code for "Enhancing the Utility of Higher-Order Information in Relational Learning" (NeurIPS 2025))☆12Nov 2, 2025Updated 11 months ago
- The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"☆13Mar 26, 2025Updated last year
- It's our hand-made Chinese sentiment dataset with 7 kinds of emotion label and it is far more clean than weibo sentiment dataset.☆12Jan 18, 2023Updated 3 years ago
- ☆13Mar 26, 2025Updated last year
- A computational tool for the prediction and identification of metabolites.☆17Aug 19, 2021Updated 5 years ago
- ☆10Jul 4, 2022Updated 4 years ago