A Graph Neural Network project on HIV data
☆289Jun 19, 2024Updated 2 years ago
Alternatives and similar repositories for gnn-project
Users that are interested in gnn-project are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆102Oct 19, 2022Updated 3 years ago
- Pytorch Geometric Tutorials☆1,175Feb 6, 2026Updated 6 months ago
- Data repository for pkasolver☆13Mar 28, 2022Updated 4 years ago
- ☆50Jan 6, 2020Updated 6 years ago
- Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation☆328Jan 4, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Strategies for Pre-training Graph Neural Networks☆1,070Jul 29, 2023Updated 3 years ago
- here you can find the material used for our Tutorials☆104Jan 21, 2022Updated 4 years ago
- Deep Learning Can Identify Explainable Reasoning Paths of Mechanism of Drug Action for Drug Repurposing from Multilayer Biological Networ…☆12Aug 19, 2024Updated 2 years ago
- GNN, GCN, Molecular Solubility, RDKit, Cheminformatics☆50Jun 2, 2025Updated last year
- ☆16Jul 5, 2021Updated 5 years ago
- Superpixel for CIFAR dataset☆12Sep 9, 2022Updated 3 years ago
- Graph neural networks for molecular design.☆380Mar 11, 2023Updated 3 years ago
- ☆14Jul 9, 2021Updated 5 years ago
- ☆12Nov 8, 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.
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- ☆10Feb 12, 2025Updated last year
- This is a **reimplementation** of the ICLR 2019 paper "Graph Matching Networks for Learning the Similarity of Graph Structured Objects" (…☆22Nov 24, 2020Updated 5 years ago
- Codes and models for the paper "Learning Unknown from Correlations: Graph Neural Network for Inter-novel-protein Interaction Prediction".☆82Feb 8, 2022Updated 4 years ago
- ☆217Oct 15, 2022Updated 3 years ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated 2 years ago
- Computation of the drug-target relative residence times from RAMD simulations☆23Aug 29, 2024Updated 2 years ago
- ML benchmarking and pipeling framework☆15Oct 28, 2025Updated 10 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆175Oct 29, 2018Updated 7 years ago
- Platform for designing and evaluating Graph Neural Networks (GNN)☆1,903Nov 10, 2023Updated 2 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- ☆14Sep 4, 2021Updated 4 years ago
- Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.☆17Updated this week
- Graph Neural Network Library for PyTorch☆24,044Updated this week
- Machine learning notebooks and code used for demonstration purposes☆24Feb 17, 2021Updated 5 years ago
- A concise and easy-to-customize reimplementation of "ChemProp" (Yang et al, 2019) in PyTorch Geometric.☆26Jun 23, 2022Updated 4 years ago
- Core code for the paper "A deep learning model for drug response prediction from cancer genomic signatures and compound chemical structur…☆22Sep 21, 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.
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆52Oct 21, 2022Updated 3 years ago
- Official implementation of "Non-Local Graph Neural Networks" [TPAMI]☆23Jul 1, 2022Updated 4 years ago
- Message Passing Neural Networks for Molecule Property Prediction☆2,439Aug 21, 2026Updated last week
- Subgraph Neural Networks (NeurIPS 2020)☆205Mar 5, 2021Updated 5 years ago
- ☆20Sep 4, 2018Updated 7 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆33Aug 11, 2026Updated 2 weeks ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆206Feb 12, 2023Updated 3 years ago