☆14Dec 10, 2021Updated 4 years ago
Alternatives and similar repositories for CD-MVGNN
Users that are interested in CD-MVGNN are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Unified 2D and 3D Pre-Training of Molecular Representations☆30Jun 30, 2022Updated 4 years ago
- Source Code of IJCAI 2022 paper "Fine-Tuning Graph Neural Networks via Graph Topology induced Optimal Transport"☆23Aug 22, 2022Updated 4 years ago
- Predicting mechanism of action of novelcompounds using compound structure andtranscriptomic signature co-embedding☆14Oct 17, 2023Updated 3 years ago
- Official Implementation of Graph Mixer Networks☆19Dec 5, 2023Updated 2 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- source code of paper 'Auto-STGCN: Autonomous Spatial-Temporal Graph Convolutional Network Search Based on Reinforcement Learning and Exis…☆11Jan 26, 2021Updated 5 years ago
- Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"☆28Jul 9, 2022Updated 4 years ago
- ☆10Aug 16, 2024Updated 2 years ago
- single-cell RNA-seq clustering☆10Sep 14, 2020Updated 6 years ago
- ☆10Nov 30, 2022Updated 3 years ago
- ☆11Jun 11, 2024Updated 2 years ago
- [BIB 2022] The official repository of our paper "Molormer: A Lightweight Self-Attention-Based Method Focused on Spatial Structure of Mole…☆12Oct 6, 2024Updated 2 years ago
- ☆11May 12, 2021Updated 5 years ago
- GeNNius: An ultrafast drug-target interaction inference method based on graph neural networks☆15Mar 8, 2024Updated 2 years ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Project of drug interactions https://arxiv.org/pdf/2209.09941.pdf https://arxiv.org/pdf/2302.08680.pdf, NeurIPS 2022 (AI for Science)☆14Oct 27, 2023Updated 3 years ago
- Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…☆359Dec 22, 2022Updated 3 years ago
- A curated list of papers and selected technical blogs on the post-training of Diffusion Language Models (DLMs).☆12Sep 11, 2026Updated last month
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆35Aug 10, 2022Updated 4 years ago
- ☆10Jul 2, 2024Updated 2 years ago
- Official implementation for AAAI 2022 paper: "GeomGCL: Geometric Graph Contrastive Learning for Molecular Property Prediction".☆22Jul 11, 2022Updated 4 years ago
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Mar 18, 2024Updated 2 years ago
- Shows some of the ways molecule generation and optimization can go wrong☆17Jul 6, 2023Updated 3 years ago
- A Fingerprint-enhanced graph attention network (FinGAT) model for antibiotic discovery☆10Mar 31, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Making self-supervised learning work on molecules by using their 3D geometry to pre-train GNNs. Implemented in DGL and Pytorch Geometric.☆171Oct 8, 2023Updated 3 years ago
- blog☆15May 25, 2023Updated 3 years ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 3 years ago
- Official Implementation of CompassDock☆21Feb 13, 2026Updated 8 months ago
- Molecular-GAT☆21May 30, 2018Updated 8 years ago
- ☆34Jun 17, 2021Updated 5 years ago
- ☆10May 31, 2026Updated 5 months ago
- [Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summa…☆91Jul 25, 2024Updated 2 years ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆29Jul 17, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆14Jun 22, 2022Updated 4 years ago
- Source code for the paper "Guarantees for Greedy Maximization of Non-submodular Functions with Applications" in ICML 2017☆11May 13, 2019Updated 7 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- ☆10Oct 18, 2021Updated 5 years ago
- ☆17Aug 31, 2022Updated 4 years ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆42Sep 7, 2023Updated 3 years ago
- Developing a Deep learning classification-based model for screening pharmaceutical compounds with hERG inhibitory activity (cardiotoxicit…☆15Oct 2, 2024Updated 2 years ago