A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.
☆35Dec 1, 2022Updated 3 years ago
Alternatives and similar repositories for BACPI
Users that are interested in BACPI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- the codes for paper "IIFDTI: predicting drug target interaction through interactive and independent features based on attention mechanism…☆11Apr 7, 2022Updated 4 years ago
- GPCNDTA: prediction of drug-target binding affinity through cross-attention networks augmented with graph features and pharmacophores☆17Jan 19, 2025Updated last year
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆32May 16, 2024Updated 2 years ago
- ☆31Feb 22, 2022Updated 4 years ago
- a deep learning architecture for protein-ligand binding affinity prediction☆77Jan 21, 2024Updated 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.
- DTITR: End-to-End Drug-Target Binding Affinity Prediction with Transformers☆15Nov 8, 2023Updated 2 years ago
- Drug Target Interaction Prediction Using Protein Binding Sites And Drug Fragments☆12Aug 11, 2025Updated last year
- ☆60Aug 23, 2024Updated 2 years ago
- a novel DTA predition method using graph neural network☆78Jul 12, 2023Updated 3 years ago
- AttentionDTA: prediction of drug–target binding affinity using attention model.https://ieeexplore.ieee.org/abstract/document/8983125☆13Aug 29, 2020Updated 6 years ago
- DeepTTC: a transformer-based model for predicting cancer drug response☆21Jun 1, 2023Updated 3 years ago
- ☆41Jun 3, 2024Updated 2 years ago
- HoTS: Sequence-based prediction of binding regions and drug-target interactions.☆29Nov 6, 2022Updated 3 years ago
- ☆47Nov 9, 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.
- Drug-target binding affinity prediction using representation learning, graph mining, and machine learning☆25Mar 21, 2022Updated 4 years ago
- Protein-protein interacting site predictor using deep graph convolutional network☆11Jan 3, 2023Updated 3 years ago
- MacroGuide: topological guidance for macrocycle generation (ICML 2026)☆17Aug 5, 2026Updated 2 months ago
- DeepCDA☆15Mar 19, 2020Updated 6 years ago
- DeepDrugDomain: A versatile Python toolkit for streamlined preprocessing and accurate prediction of drug-target interactions and binding …☆29Oct 22, 2024Updated 2 years ago
- A Network Integration Approach for Drug-Target Interaction Prediction☆13Apr 5, 2025Updated last year
- ☆10Aug 20, 2023Updated 3 years ago
- AttentionDTA: drug--target binding affinity prediction by sequence-based deep learning with attention mechanism☆18Jan 27, 2022Updated 4 years ago
- Effective drug-target interaction prediction with mutual interaction neural network☆33May 8, 2022Updated 4 years ago
- Open source password manager - Proton Pass • AdSecurely store, share, and autofill your credentials with Proton Pass, the end-to-end encrypted password manager trusted by millions.
- [BIB 2023] Official implementation of "R2-DDI: Relation-aware Feature Refinement for Drug-drug Interaction Prediction".☆13Mar 18, 2024Updated 2 years ago
- Source code for "DeepDTA: deep drug-target binding affinity prediction"☆309Sep 22, 2023Updated 3 years ago
- 3DProtDTA: a deep learning model for drug-target affinity prediction based on residue-level protein graphs☆27Mar 31, 2023Updated 3 years ago
- Tools to calculate descriptors from molecular dynamics and it's application to predict drug resistance.☆15Feb 20, 2023Updated 3 years ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆58Jul 21, 2025Updated last year
- This repository provides an implementation of the DTiGEMSplus tool, a network-based method for computational Drug-Target Interaction pred…☆27Sep 28, 2021Updated 5 years ago
- ☆29Jun 18, 2023Updated 3 years ago
- A versatile workflow for the generation of receptor-based pharmacophore models for virtual screening☆33May 22, 2025Updated last year
- Learning free energy landscapes using artificial neural networks☆16Nov 30, 2017Updated 8 years ago
- 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.
- ☆17Oct 10, 2021Updated 5 years ago
- EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity☆14Dec 7, 2021Updated 4 years ago
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 3 years ago
- Knowledge-enhanced learned representation enriches protein sequence and SMILES drug databases with a large Knowledge Graph fused from dif…☆65Apr 24, 2026Updated 6 months ago
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆36Jan 3, 2024Updated 2 years ago
- MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Pro…☆106Oct 6, 2020Updated 6 years ago
- ☆10Feb 25, 2021Updated 5 years ago