A curated list of papers on deep graph learning for drug discovery (DGL4DD).
☆15Jun 20, 2023Updated 3 years ago
Alternatives and similar repositories for Awesome-Deep-Graph-Learning-for-Drug-Discovery
Users that are interested in Awesome-Deep-Graph-Learning-for-Drug-Discovery are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Jan 19, 2025Updated last year
- This is a curated list of research papers, resources and tools related to using Graph Neural Networks (GNNs) for drug discovery.☆65Apr 1, 2024Updated 2 years ago
- Online solubility prediction tool (streamlit) that runs the top-performing ML model (AqSolPred).☆10Nov 11, 2024Updated last year
- Don't worry about DrugBank licensing - write code that knows how to download it automatically☆67May 22, 2026Updated last month
- ☆11Apr 10, 2022Updated 4 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.
- a method for CPI and DTA prediction☆11Jun 18, 2022Updated 4 years ago
- ☆16Jul 25, 2024Updated last year
- This is a repository for the code developed to produced the results in the paper "Detection of Inferior Myocardial Infarction using Shall…☆10May 15, 2024Updated 2 years ago
- ☆13May 21, 2024Updated 2 years ago
- A simple example of VAEs with KANs☆12May 17, 2024Updated 2 years ago
- Analyzing thin-layer chromatography (TLC) chromatograms☆18May 6, 2024Updated 2 years ago
- ☆14Apr 10, 2024Updated 2 years ago
- ☆15Mar 6, 2024Updated 2 years ago
- Soil Health Data Cube for Europe☆15Jun 17, 2026Updated 3 weeks ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- A seq2seq translation model with attention mechanism in MXNET☆12Aug 30, 2019Updated 6 years ago
- Code for "Thinking Forward: Memory-Efficient Federated Finetuning of Language Models" (NeurIPS 2024). Spry is a federated learning al…☆13Oct 8, 2024Updated last year
- Accelerating Bayesian reaction optimization with limited data☆13Aug 5, 2023Updated 2 years ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Oct 21, 2024Updated last year
- Reinforcement learning for batch bioprocess optimization (Computers & Chemical Engineering, 2020)☆16Jun 14, 2022Updated 4 years ago
- https://www.kaggle.com/c/nbme-score-clinical-patient-notes☆10Sep 1, 2022Updated 3 years ago
- Thesis template of LaTeX for Pusan National University☆15Apr 12, 2023Updated 3 years ago
- code for progressive gsl☆12Jan 15, 2026Updated 5 months ago
- ☆21Sep 18, 2025Updated 9 months 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.
- Source code for KDD 2020 paper COMPOSE: Cross-Modal Pseudo-Siamese Network for Patient Trial Matching.☆20Aug 26, 2020Updated 5 years ago
- this is a work about UpliftRec☆10Dec 10, 2024Updated last year
- Materials from the Intro to the RDKit tutorial at AIDD 2021☆20Oct 19, 2021Updated 4 years ago
- Pre-training Multi-task Contrastive Learning Models for Scientific Literature Understanding (Findings of EMNLP'23)☆11Aug 24, 2024Updated last year
- Apply fine-tuning and transfer learning for regression to ChemBERTa, a BERT-like model applied to chemical SMILES data.☆19Jan 12, 2024Updated 2 years ago
- This repository has been redirected into https://kuaisar.github.io/.☆11Oct 12, 2023Updated 2 years ago
- Pytorch implementation for NeurIPS-23:"GNNEvaluator: Evaluating GNN Performance On Unseen Graphs Without Labels"☆19Mar 21, 2024Updated 2 years ago
- Notes and code for Programming Massively Parallel Processors☆13Mar 29, 2025Updated last year
- ☆15Jan 12, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- drugbank相关数据的处理，包括获取药物sdf结构文件，drug相关信息，drug作用相关蛋白信息，drugbank中drug id与其他数据库的映射，protein蛋白相关信息到其他数据库的映射☆26Jun 22, 2021Updated 5 years ago
- ☆13May 11, 2026Updated last month
- ☆14Mar 2, 2023Updated 3 years ago
- Proteomics Mass Spectrometry Datasets for Machine Learning☆22Aug 16, 2024Updated last year
- The code for the paper "MediTab: Scaling Medical Tabular Data Predictors via Data Consolidation, Enrichment, and Refinement"☆23May 8, 2024Updated 2 years ago
- [SIGKDD 2024] Rethinking Fair Graph Neural Networks from Re-balancing☆10Jul 15, 2024Updated last year
- A MolProbity-style visualization plugin for PyMOL☆16Jul 26, 2022Updated 3 years ago