☆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 3 years ago
- Source Code of IJCAI 2022 paper "Fine-Tuning Graph Neural Networks via Graph Topology induced Optimal Transport"☆23Aug 22, 2022Updated 3 years ago
- Predicting mechanism of action of novelcompounds using compound structure andtranscriptomic signature co-embedding☆14Oct 17, 2023Updated 2 years ago
- ☆12Dec 10, 2020Updated 5 years ago
- Official Implementation of Graph Mixer Networks☆20Dec 5, 2023Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Source code for TKDE'22 "KG-MTL: Knowledge Graph Enhanced Multi-Task Learning for Molecular Interaction"☆28Jul 9, 2022Updated 3 years ago
- 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
- Message Passing Neural Networks for Molecule Property Prediction☆12Jan 17, 2020Updated 6 years ago
- ☆10Nov 30, 2022Updated 3 years ago
- single-cell RNA-seq clustering☆10Sep 14, 2020Updated 5 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 last year
- ☆11May 12, 2021Updated 4 years ago
- Shows some of the ways molecule generation and optimization can go wrong☆17Jul 6, 2023Updated 2 years ago
- Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda e…☆356Dec 22, 2022Updated 3 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Project of drug interactions https://arxiv.org/pdf/2209.09941.pdf https://arxiv.org/pdf/2302.08680.pdf, NeurIPS 2022 (AI for Science)☆15Oct 27, 2023Updated 2 years ago
- Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.☆34Aug 10, 2022Updated 3 years ago
- Official Implementation of CompassDock☆21Feb 13, 2026Updated last month
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated 9 months ago
- Implementation for the paper MoCL: Contrastive Learning on Molecular Graph with multi-level Domain Knowledge☆41Sep 7, 2023Updated 2 years ago
- Supporting Information for "Prediction of Organic Compound Aqueous Solubility Using Interpretable Machine Learning"☆13Jun 5, 2023Updated 2 years ago
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Mar 18, 2024Updated 2 years ago
- [Bioinformatics 2021] This is the repo for the paper `SumGNN: Multi-typed Drug Interaction Prediction via Efficient Knowledge Graph Summa…☆90Jul 25, 2024Updated last year
- ☆32Jun 17, 2021Updated 4 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- pLM-informed E(3) equivariant deep graph neural networks for protein-nucleic acid binding site prediction☆23Apr 24, 2024Updated last year
- blog☆15May 25, 2023Updated 2 years ago
- Molecular-GAT☆21May 30, 2018Updated 7 years ago
- Official code for the publication "HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder".☆17Jan 17, 2023Updated 3 years ago
- The PyTorch implementation of MoMu, described in "Natural Language-informed Modeling of Molecule Graphs".☆29Jul 17, 2023Updated 2 years ago
- ☆14Jun 22, 2022Updated 3 years ago
- ☆17Feb 5, 2024Updated 2 years ago
- ☆17Aug 31, 2022Updated 3 years ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Dec 8, 2023Updated 2 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- A Docker-based, cloudable platform for the development of chemoinformatics-centric web applications and microservices.☆46Jun 4, 2025Updated 9 months ago
- ☆10Oct 18, 2021Updated 4 years ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆50Dec 18, 2024Updated last year
- ☆171Feb 28, 2022Updated 4 years ago
- List of papers on protein binding site prediction☆11Aug 11, 2023Updated 2 years ago
- ☆44Aug 28, 2022Updated 3 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆210Sep 20, 2022Updated 3 years ago