arantir123 / MCGLPPILinks
MCGLPPI and MCGLPPI++: Integration of molecular coarse-grained model into geometric representation learning framework for protein-protein complex property prediction
☆24Updated 9 months ago
Alternatives and similar repositories for MCGLPPI
Users that are interested in MCGLPPI are comparing it to the libraries listed below
Sorting:
- ☆58Updated last year
- Evaluating Protein Binding Interfaces with Transformer Networks☆47Updated last year
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆34Updated 2 years ago
- ☆47Updated 2 years ago
- my own studied materials and scripts☆54Updated 5 months ago
- ☆77Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- 3D_Molecular_Generation☆100Updated 10 months ago
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆24Updated last year
- Comprehensive Benchmark for Protein-Peptide Complex Structure Prediction with AlphaFold3☆14Updated last month
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆82Updated last month
- Graph variational encoders for drug engineering and potentiation☆30Updated 2 years ago
- ☆108Updated 2 years ago
- Diffusion model based protein-ligand flexible docking method☆114Updated 11 months ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆70Updated 10 months ago
- ☆27Updated last year
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆69Updated last year
- List of papers about Peptide research using Deep Learning☆29Updated last week
- A universal structure-directed lead optimization☆53Updated 6 months ago
- ☆32Updated 2 years ago
- ☆30Updated last year
- ☆124Updated last year
- ☆38Updated last month
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆16Updated last year
- Interpretable AI pipeline improving binding predictions for novel protein targets and ligands☆40Updated last year
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆74Updated last month
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆100Updated last month
- workflow used to prepare PPB-Affinity database☆27Updated last year
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year