A Graph Neural Network project on HIV data
☆289Jun 19, 2024Updated last year
Alternatives and similar repositories for gnn-project
Users that are interested in gnn-project are comparing it to the libraries listed below
Sorting:
- ☆101Oct 19, 2022Updated 3 years ago
- Pytorch Geometric Tutorials☆1,161Feb 6, 2026Updated last month
- Data repository for pkasolver☆12Mar 28, 2022Updated 3 years ago
- Strategies for Pre-training Graph Neural Networks☆1,054Jul 29, 2023Updated 2 years ago
- Implementation of MoLeR: a generative model of molecular graphs which supports scaffold-constrained generation☆319Jan 4, 2024Updated 2 years ago
- here you can find the material used for our Tutorials☆104Jan 21, 2022Updated 4 years ago
- GNN, GCN, Molecular Solubility, RDKit, Cheminformatics☆48Jun 2, 2025Updated 9 months ago
- Deep Learning Can Identify Explainable Reasoning Paths of Mechanism of Drug Action for Drug Repurposing from Multilayer Biological Networ…☆12Aug 19, 2024Updated last year
- Superpixel for CIFAR dataset☆11Sep 9, 2022Updated 3 years ago
- ☆16Jul 5, 2021Updated 4 years ago
- Graph neural networks for molecular design.☆380Mar 11, 2023Updated 3 years ago
- ☆50Sep 28, 2023Updated 2 years ago
- ☆11Nov 8, 2022Updated 3 years ago
- ☆10Feb 12, 2025Updated last year
- Tree-Invent: A novel molecular generative model constrained with topological tree☆13Jul 26, 2023Updated 2 years ago
- ☆14Jul 9, 2021Updated 4 years ago
- A repository of the analysis and simulation tools for biomolecular modeling, simulations and drug discovery☆13Mar 7, 2025Updated last year
- A Graph Neural Network Model for prediction of the effectiveness of a drug on a given cancer cell lines☆17Apr 3, 2023Updated 2 years ago
- Workshops on Computational Biology organized by our lab☆10Mar 25, 2024Updated last year
- Analysis framework of dissipation-corrected targeted molecular dynamics (dcTMD) simulations.☆17Feb 27, 2026Updated 3 weeks ago
- This is a **reimplementation** of the ICLR 2019 paper "Graph Matching Networks for Learning the Similarity of Graph Structured Objects" (…☆23Nov 24, 2020Updated 5 years ago
- ☆218Oct 15, 2022Updated 3 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
- Platform for designing and evaluating Graph Neural Networks (GNN)☆1,877Nov 10, 2023Updated 2 years ago
- Pytroch implementation of MolGAN: An implicit generative model for small molecular graphs (https://arxiv.org/abs/1805.11973)☆175Oct 29, 2018Updated 7 years ago
- Snippets for common computer-aided drug design tasks☆10Oct 17, 2017Updated 8 years ago
- ChromBERT: Uncovering Chromatin State Motifs in the Human Genome using a BERT-based Approach☆11Dec 17, 2025Updated 3 months ago
- ☆13Sep 14, 2021Updated 4 years ago
- ☆13Sep 4, 2021Updated 4 years ago
- Graph Neural Network Library for PyTorch☆23,565Updated this week
- Machine learning notebooks and code used for demonstration purposes☆24Feb 17, 2021Updated 5 years ago
- ML benchmarking and pipeling framework☆15Oct 28, 2025Updated 4 months 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
- Computation of the drug-target relative residence times from RAMD simulations☆21Aug 29, 2024Updated last year
- OCR post correction for old German corpus☆20Aug 29, 2022Updated 3 years ago
- An E(3) Equivariant Variational Autoencoder for Molecular Linker Design☆51Oct 21, 2022Updated 3 years ago
- NodeCoder is a general framework based on graph convolutional neural network for protein function prediction.☆34May 2, 2024Updated last year
- Chemical Database Expander. For a given target compound, it generates a virtual chemical bank of analogues by replacing the substructures…☆14Jan 28, 2024Updated 2 years ago
- Official implementation of "Non-Local Graph Neural Networks" [TPAMI]☆23Jul 1, 2022Updated 3 years ago