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
- A bi-directional attention neural network for compound–protein interaction and binding affinity prediction.☆32Updated 2 years ago
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- InteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictio…☆47Updated 2 years ago
- Incorporation of conformational space profile into molecular representation learning, and its application to drug discovery, including vi…☆61Updated 3 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…☆74Updated 2 years ago
- 3D_Molecular_Generation☆100Updated 11 months ago
- MGA☆44Updated 4 years ago
- ☆57Updated last year
- ☆109Updated 2 years ago
- ☆69Updated last year
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆88Updated 2 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆12Updated 4 years ago
- DeepCDA☆15Updated 5 years ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆35Updated 2 years ago
- ☆48Updated 2 years ago
- ☆26Updated last year
- ☆38Updated 3 months ago
- A unified framework for predicting drug-target interactions, binding affinities and activation/inhibition mechanisms.☆49Updated 3 months ago
- Diffusion model based protein-ligand flexible docking method☆114Updated last year
- ☆126Updated last year
- ☆77Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- K-BERT for molecular property prediction.☆31Updated 3 years ago
- ☆36Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆35Updated last year
- This repository contains the code for the work on protein-ligand interaction with GNNs and XAI☆36Updated last year
- ☆45Updated 2 months ago
- ☆15Updated 4 years ago