admislf / MINN-DTILinks
Effective drug-target interaction prediction with mutual interaction neural network
☆33Updated 3 years ago
Alternatives and similar repositories for MINN-DTI
Users that are interested in MINN-DTI are comparing it to the libraries listed below
Sorting:
- ☆15Updated 4 years ago
- ☆10Updated 2 years ago
- MGA☆44Updated 4 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 3 years ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆65Updated 2 years ago
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆36Updated last year
- ☆24Updated 3 months ago
- DeepCDA☆15Updated 5 years ago
- ☆22Updated 4 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- ☆17Updated 3 years ago
- ☆17Updated 3 years ago
- my own studied materials and scripts☆55Updated last month
- ☆58Updated last year
- ☆24Updated 2 years ago
- ☆28Updated 3 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆66Updated 4 months ago
- ☆60Updated 3 years ago
- Code for "An adaptive graph learning method for automated molecular interactions and properties predictions".☆40Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- ☆49Updated 2 years ago
- Official implementation for ActFound (Nature Machine Intelligence): A bioactivity foundation model using pairwise meta-learning☆45Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆44Updated last year
- K-BERT for molecular property prediction.☆31Updated 3 years ago
- Implementation of the Kdeep Paper☆21Updated 4 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year