This repository contains a PyTorch implementation of the paper "Hierarchical Graph Representation Learning for the Prediction of Drug-Target Binding Affinity".
☆12Jul 21, 2022Updated 3 years ago
Alternatives and similar repositories for HGRL-DTA
Users that are interested in HGRL-DTA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆21Feb 22, 2024Updated 2 years ago
- ☆13May 21, 2024Updated last year
- A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern str…☆40Mar 26, 2024Updated 2 years ago
- a method for CPI and DTA prediction☆11Jun 18, 2022Updated 3 years ago
- ☆22Mar 6, 2024Updated 2 years 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.
- ☆59Aug 23, 2024Updated last year
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆14Jul 8, 2025Updated 10 months ago
- Code and Datasets for "Predicting Drug-Disease Associations through Layer Attention Graph Convolutional Networks"☆55Feb 24, 2023Updated 3 years ago
- Parameter-efficient embeddings for proteins, pretrained using a contrastive loss.☆30Jul 20, 2025Updated 9 months ago
- ☆10Feb 21, 2022Updated 4 years ago
- DeepGS: Deep Representation Learning of Graphs and Sequences for Drug-Target Binding Affinity Prediction (ECAI 2020)☆26Oct 22, 2020Updated 5 years ago
- ☆11Sep 23, 2024Updated last year
- ☆39Jun 9, 2025Updated 11 months ago
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆31Jul 5, 2022Updated 3 years ago
- 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.
- Workflow for CONNectivity preserving Geometry Optimization☆11Sep 2, 2021Updated 4 years ago
- CodexLeaks: Privacy Leaks from Code Generation Language Models in GitHub Copilot☆11Jul 11, 2023Updated 2 years ago
- 博士论文《Netflix Prize 中的协同过滤算法》以及对应的答辩PPT☆15Jun 3, 2017Updated 8 years ago
- Code for PII detection and redaction in code datasets☆15Jan 24, 2023Updated 3 years ago
- ☆13Nov 1, 2023Updated 2 years ago
- NeurIPS 2023 paper: De novo Drug Design using Reinforcement Learning with Multiple GPT Agents☆40Mar 27, 2024Updated 2 years ago
- Revised breaking of retrosynthetically interesting chemical substructures (r-BRICS) – a revised BRICS module based on rdKit that breaks r…☆17Mar 14, 2025Updated last year
- ☆23Jun 29, 2025Updated 10 months ago
- ICML'20: SIGUA: Forgetting May Make Learning with Noisy Labels More Robust☆17Dec 14, 2020Updated 5 years 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.
- GRENADE: Graph-Centric Language Model for Self-Supervised Representation Learning on Text-Attributed Graphs☆16Jan 6, 2025Updated last year
- Code implementation for paper "Can Large Language Models Empower Molecular Property Prediction?"☆39Jul 14, 2023Updated 2 years ago
- ☆12Nov 30, 2023Updated 2 years ago
- ☆36Dec 31, 2020Updated 5 years ago
- ☆11Aug 3, 2023Updated 2 years ago
- dMaSIF implementation for google colab☆36Mar 24, 2023Updated 3 years ago
- ☆14Jun 16, 2020Updated 5 years ago
- ☆14Dec 29, 2022Updated 3 years ago
- 👑 A lightweight molecular dynamics pipeline for running protein simulations on portable hardware☆40Mar 23, 2026Updated last month
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- DTI prediction method☆24Jan 22, 2024Updated 2 years ago
- GraphDTA: Predicting drug-target binding affinity with graph neural networks☆298Apr 13, 2021Updated 5 years ago
- This repository is the implementation of the model COLA from paper: Graph Contrastive Learning Meets Graph Meta Learning: A Unified Metho…☆12Aug 22, 2024Updated last year
- ☆42Nov 24, 2023Updated 2 years ago
- ☆13Feb 24, 2021Updated 5 years ago
- Code and analyses related to the ExaLearn drug design efforts☆11Sep 30, 2020Updated 5 years ago
- ☆68Apr 29, 2026Updated last week