A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.
☆57Jul 21, 2025Updated 11 months ago
Alternatives and similar repositories for DTIAM
Users that are interested in DTIAM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆23Jun 29, 2025Updated last year
- DMFF-DTA: Dual Modality Feature Fused Neural Network Integrating Binding Site Information for Drug Target Affinity Prediction☆20Feb 18, 2025Updated last year
- Interpretable bilinear attention network with domain adaptation improves drug-target prediction.☆148Feb 19, 2023Updated 3 years ago
- DyRAMO: Dynamic Reliability Adjustment for Multi-objective Optimization☆15Mar 17, 2025Updated last year
- KDS software for Kinase Drug Selectivity☆10Jun 22, 2026Updated last week
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- ☆39Jun 3, 2024Updated 2 years ago
- [EMNLP 2025]* FusionDTI utilises a Token-level Fusion module to effectively learn fine-grained information for Drug-Target Interaction Pr…☆41Mar 6, 2026Updated 3 months ago
- ☆29Jun 18, 2023Updated 3 years ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆78Jul 20, 2023Updated 2 years ago
- ☆42Mar 26, 2025Updated last year
- A bi-directional attention neural network for compound –protein interaction and binding affinity prediction.☆35Dec 1, 2022Updated 3 years ago
- Fragment Linker Prediction Using Deep Encoder-Decoder Network for PROTAC Drug Design☆13Oct 2, 2023Updated 2 years ago
- ☆11May 25, 2026Updated last month
- Code of "Instruction Multi-Constraint Molecular Generation Using a Teacher-Student Large Language Model"☆13Jul 8, 2025Updated 11 months 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.
- ☆22Mar 30, 2024Updated 2 years ago
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆15Nov 8, 2023Updated 2 years ago
- This is The repository for Paper "AttentionSiteDTI: Attention Based Model for Predicting Drug-Target Interaction Using Graph Representati…☆46Dec 8, 2023Updated 2 years ago
- ☆36Jan 21, 2025Updated last year
- ☆14Apr 10, 2024Updated 2 years ago
- A PyTorch-based system for highly accurate drug-target interaction predictions utilizing multi-modal large language models to discern str…☆41Mar 26, 2024Updated 2 years ago
- Python package to load and query ARCHS4 data☆28Jul 25, 2025Updated 11 months ago
- NeurIPS 2023 paper: De novo Drug Design using Reinforcement Learning with Multiple GPT Agents☆40Mar 27, 2024Updated 2 years ago
- ☆31Sep 8, 2024Updated last year
- 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.
- A hybrid pipeline to screen compounds with DrugCLIP and Schrodinger☆60Jun 2, 2026Updated 3 weeks ago
- ☆17Sep 4, 2023Updated 2 years ago
- Autoregressive fragment-based diffusion for target-aware ligand design☆36May 23, 2024Updated 2 years ago
- ☆36Jun 18, 2025Updated last year
- 3D_Molecular_Generation☆115Nov 23, 2024Updated last year
- A LLM-based Agent Framework for Drug Discovery☆22Jan 11, 2026Updated 5 months ago
- NHGNN-DTA: A Node-adaptive Hybrid Graph Neural Network for Interpretable Drug-target Binding Affinity Prediction☆16Nov 14, 2023Updated 2 years ago
- An end-to-end heterogeneous graph representation learning-based framework for drug-target interaction prediction☆31Jul 5, 2022Updated 3 years ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Jan 19, 2025Updated last year
- 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.
- Graph Neural Networks for Drug Efficacy Prediction☆12Sep 11, 2022Updated 3 years ago
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆168Oct 1, 2024Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆253Sep 29, 2025Updated 9 months ago
- ☆55Mar 5, 2025Updated last year
- POLYGON VAE For de novo Polypharmacology☆43Mar 5, 2025Updated last year
- Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction.☆150May 21, 2025Updated last year
- ☆15Feb 20, 2025Updated last year