HongxinXiang / CGIP
A simple and effective Contrastive Graph-Image Pre-training framework for molecular representation learning (BIB 2023)
☆11Updated 7 months ago
Alternatives and similar repositories for CGIP:
Users that are interested in CGIP are comparing it to the libraries listed below
- ☆22Updated last year
- ☆15Updated 3 years ago
- ☆24Updated 6 months ago
- Molecule Optimization via Fragment-based Generative Models☆42Updated 2 years ago
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆24Updated 3 weeks ago
- ☆52Updated last year
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- Towards Explainable Target-Aware Molecule Generation with Knowledge Guidance☆31Updated last year
- ☆24Updated 9 months ago
- ☆42Updated last year
- ☆16Updated 3 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆41Updated last year
- ☆31Updated 5 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆15Updated last year
- ☆22Updated 8 months ago
- Effective drug-target interaction prediction with mutual interaction neural network☆32Updated 2 years ago
- ☆14Updated 2 years ago
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆17Updated last month
- ☆9Updated last year
- ☆31Updated 3 weeks ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆55Updated last year
- EC-Conf: An Ultra-fast Diffusion Model for Molecular conformation Generation with Equivariant Consistency☆13Updated last year
- ☆28Updated 2 years ago
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆27Updated 4 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆31Updated last month
- ☆10Updated 5 months ago
- ☆25Updated 2 years ago
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Source code and data of the paper entitled "iCYP-MFE: Identifying Human Cytochrome P450 Inhibitors using Multi-task Learning and Molecula…☆17Updated last year
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 6 months ago