3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs
☆27Mar 31, 2023Updated 3 years ago
Alternatives and similar repositories for 3d-prot-dta
Users that are interested in 3d-prot-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:
- NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction☆16Nov 14, 2023Updated 2 years ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Jan 19, 2025Updated last year
- ☆41Jun 3, 2024Updated 2 years ago
- ☆60Aug 23, 2024Updated 2 years ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32May 16, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆35Dec 1, 2022Updated 3 years ago
- PocketDTA☆42Nov 21, 2025Updated 10 months ago
- a novel DTA predition method using graph neural network☆78Jul 12, 2023Updated 3 years ago
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Mar 21, 2022Updated 4 years ago
- CAPLA: improved prediction of protein-ligand binding affinity by a deep learning approach based on a cross-attention mechanism☆26Nov 9, 2022Updated 3 years ago
- G-K BertDTA is a research tool facilitating drug-target interaction prediction. Leveraging multi-modal data integration and advanced mach…☆14Nov 22, 2023Updated 2 years ago
- Knowledge-enhanced learned representation enriches protein sequence and SMILES drug databases with a large Knowledge Graph fused from dif…☆65Apr 24, 2026Updated 5 months ago
- 小白入门DTA方向，GraphDTA作为经典的DTA模型，对于python基础不好，深度学习代码实操不强者，本github将代码细致的进行注释阐述，旨在记录学习过程，帮助更多入门者尽快入门！☆28Mar 21, 2023Updated 3 years ago
- Artificial intelligence is used in drug development☆19Dec 23, 2019Updated 6 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.
- The code for NeurIPS 2023 paper DSR☆14Oct 8, 2023Updated 3 years ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆18Jan 27, 2022Updated 4 years ago
- Contrastive learning harmonizing protein language models and natural language models☆44Jun 12, 2024Updated 2 years ago
- DeepCDA☆15Mar 19, 2020Updated 6 years ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Jul 17, 2026Updated 3 months ago
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆15Nov 8, 2023Updated 2 years ago
- A heterogeneous OpenCL implementation of QuickVina2☆19Jan 7, 2023Updated 3 years ago
- ☆14Apr 10, 2024Updated 2 years ago
- Python Scripts for Bioinformatics☆15Apr 24, 2024Updated 2 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.
- A collection of resources related with Knowledge-augmented Graph Machine Learning for Drug Discovery.☆25Jun 28, 2024Updated 2 years ago
- Optimizing blood-brain barrier permeation through Deep Reinforcement Learning for de novo drug design☆14Apr 22, 2021Updated 5 years ago
- Interpretable PROTAC degradation prediction with structure-informed deep ternary attention framework☆14Oct 6, 2025Updated last year
- Eterna100-V2 benchmarking results and scripts☆15Sep 1, 2026Updated last month
- Yet another dynamic batch sampler for variable sequence data in PyTorch.☆14Dec 9, 2021Updated 4 years ago
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆306Sep 22, 2023Updated 3 years ago
- ☆15Jun 4, 2024Updated 2 years ago
- ☆20May 28, 2024Updated 2 years ago
- Support vector machines implemented from scratch in Python.☆16Sep 16, 2025Updated last year
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆44May 15, 2024Updated 2 years ago
- ☆18Jul 25, 2025Updated last year
- De novo molecular design with deep molecular generative models for protein-protein interaction(PPI) inhibitors☆23Nov 6, 2024Updated last year
- A PyTorch-Lightning based deep learning framework.☆11Jun 2, 2026Updated 4 months ago
- Drug-Target Interactive Prediction Model using ChemBERTa and ProtBert☆16Oct 21, 2024Updated last year
- Scripts and datasets to reproduce the experiment of the paper "Exploring non-coding RNA functions with deep learning tools"☆16Mar 24, 2021Updated 5 years ago
- Open source code for AlphaFold to extract protein embeddings☆27Jul 26, 2021Updated 5 years ago