GraSeq: Graph and Sequence Fusion Learning for Molecular Property Prediction. In CIKM 2020.
☆16Feb 10, 2021Updated 5 years ago
Alternatives and similar repositories for GraSeq
Users that are interested in GraSeq are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- A web based application predicts water solubility of any given chemical compound known or unknown☆14Jul 4, 2021Updated 4 years ago
- Course project for CS410. Drug Molecular Toxicity Prediction with GCN + Cloud ML Infra.☆10Apr 6, 2021Updated 5 years ago
- Matrix factorization and deep learning for molecular property prediction☆13Apr 4, 2019Updated 7 years ago
- The implementation of the paper "Multi-Modal Representation Learning for Molecular Property Prediction: Sequence, Graph, Geometry".☆50Dec 18, 2024Updated last year
- TFN layers built using Tensorflow 2☆15Jul 15, 2021Updated 4 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- Junctional Tree Variational Auto-encoder☆27Feb 14, 2020Updated 6 years ago
- Few-Shot Graph Learning for Molecular Property Prediction☆137Feb 20, 2023Updated 3 years ago
- ☆16Jul 27, 2021Updated 4 years ago
- FraGAT: a fragment-oriented multi-scale graph attention model for molecular property prediction☆28Apr 25, 2021Updated 4 years ago
- [ICLR 2023] Link Prediction with Non-Contrastive Learning☆25Jan 13, 2023Updated 3 years ago
- A convolutional neural network predicts the toxicity of a drug based on its molecular structure.☆16Mar 27, 2019Updated 7 years ago
- Code for "Lipophilicity Prediction with Multitask Learning and Molecular Substructures Representation" paper. Machine Learning for Molecu…☆32Sep 23, 2021Updated 4 years ago
- My (small) research project in solubility of drug-like molecules☆17Jan 4, 2021Updated 5 years ago
- Official code implementation of PremuNet model.☆17Jun 3, 2025Updated 10 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Transformer for End to End Molecule Property Prediction☆11Jun 1, 2022Updated 3 years ago
- This repository is a collection of awesome things about federated domain generalization, including papers, code, etc.☆15Aug 25, 2025Updated 7 months ago
- pains filter using rdktit☆11Mar 17, 2015Updated 11 years ago
- A library for knowledge graph embedding models☆16Jul 7, 2020Updated 5 years ago
- [AAAI 2024] Official repository for "Rethinking Dimensional Rationale in Graph Contrastive Learning from Causal Perspective"☆14Dec 8, 2024Updated last year
- Active learning workflow to train and fine-tune molecular property predictors with chemist feedback for goal-oriented molecule generation…☆15Apr 25, 2025Updated 11 months ago
- Official implementation of IJCAI'23 paper "MolHF: A Hierarchical Normalizing Flow for Molecular Graph Generation"☆14Aug 27, 2023Updated 2 years ago
- Source codes for our IJCAI 2021 paper "User-as-Graph: User Modeling with Heterogeneous Graph Pooling for News Recommendation"☆17May 3, 2022Updated 3 years ago
- ☆78Sep 17, 2023Updated 2 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- ☆17Mar 11, 2023Updated 3 years ago
- [ICML 2023] Linkless Link Prediction via Relational Distillation☆23Oct 4, 2023Updated 2 years ago
- Quantum Chemistry is awesome. Throw your textbook in the garbage, light the garbage can on fire, and blend the ashes into your cold brew …☆22Dec 16, 2022Updated 3 years ago
- This project aims to build a Web Crawler which then is used to extract data from Shopee☆14Feb 2, 2023Updated 3 years ago
- PyTorch-based Neural Graph Fingerprint for Organic Molecule Representations☆27Jul 31, 2020Updated 5 years ago
- ☆21Nov 6, 2023Updated 2 years ago
- ☆17Jun 10, 2025Updated 10 months ago
- ☆11Jun 4, 2021Updated 4 years ago
- Implementation of paper on ECG segmentation with U-net☆15Jan 11, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Deep learning for molecules quantum chemistry properties prediction☆40Apr 14, 2021Updated 5 years ago
- Pre-training Molecular Graph Representation with 3D Geometry, ICLR'22 (https://openreview.net/forum?id=xQUe1pOKPam)☆212Sep 20, 2022Updated 3 years ago
- Atom2Vec: a simple way to describe atoms for machine learning☆38Feb 23, 2024Updated 2 years ago
- ☆23Jul 11, 2023Updated 2 years ago
- EdgeSHAPer: Bond-Centric Shapley Value-Based Explanation Method for Graph Neural Networks☆27Mar 30, 2026Updated 2 weeks ago
- ☆13Nov 13, 2020Updated 5 years ago
- Implementation of reaction condition prediction with Parrot☆21Nov 16, 2023Updated 2 years ago