HongxinXiang / VideoMolLinks
A Molecular Video-derived Foundation Model for Scientific Drug Discovery (Nature Communications 2024)
☆16Updated 5 months ago
Alternatives and similar repositories for VideoMol
Users that are interested in VideoMol are comparing it to the libraries listed below
Sorting:
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated last month
- scripts to find PBD structures for cancer driver proteins☆31Updated 3 months ago
- ☆12Updated 11 months ago
- ☆35Updated 2 months ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆37Updated 2 months ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Folding-Docking-Affinity framework for protein-ligand affinity prediction☆25Updated 2 months ago
- ☆33Updated 6 months ago
- ☆15Updated 3 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 2 months ago
- ☆24Updated 8 months ago
- ☆25Updated 2 weeks ago
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- ☆60Updated last year
- Official implementation for paper: A foundation model for protein-ligand affinity prediction through Jointly optimizing virtual screening…☆18Updated last week
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆25Updated 2 months ago
- ☆32Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆13Updated 7 months ago
- Code of “Multi-Modal Deep Learning Enables Ultrafast and Accurate Annotation of Enzymatic Active Sites”☆36Updated 3 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆54Updated last month
- PocketDTA☆30Updated 7 months ago
- A novel graph neural network strategy with the Vina distance optimization terms to predict protein-ligand binding affinity☆31Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- Pocket-Oriented Elaboration of Molecules: application to CDK8 inhibition☆14Updated 2 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- ☆28Updated 2 years ago
- Graphormer Based Protein Sequence Design☆24Updated last year
- ☆18Updated 10 months ago