JU-HuaY / MFRLinks
☆10Updated 2 years ago
Alternatives and similar repositories for MFR
Users that are interested in MFR are comparing it to the libraries listed below
Sorting:
- Effective drug-target interaction prediction with mutual interaction neural network☆33Updated 3 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆56Updated 2 months ago
- Sequence-to-drug concept adds a perspective on drug design. It can serve as an alternative method to SBDD, particularly for proteins that…☆71Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆46Updated 2 years ago
- ☆54Updated last year
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- ☆106Updated 2 years ago
- ☆124Updated last year
- 3D_Molecular_Generation☆99Updated 9 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆79Updated 3 weeks ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- Diffusion model based protein-ligand flexible docking method☆112Updated 10 months ago
- ☆26Updated last year
- ☆69Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆64Updated last year
- ☆12Updated 4 years ago
- ☆45Updated 2 years ago
- MGA☆44Updated 4 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆32Updated 3 years ago
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆34Updated last year
- ☆77Updated last year
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆100Updated last month
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆21Updated 3 years ago
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆35Updated last year
- ☆15Updated 4 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Implementation of ICLR23 paper "Molecule Generation for Target Protein Binding with Structural Motifs"☆69Updated last year