arantir123 / MCGLPPILinks
MCGLPPI and MCGLPPI++: Integration of molecular coarse-grained model into geometric representation learning framework for protein-protein complex property prediction
☆21Updated 4 months ago
Alternatives and similar repositories for MCGLPPI
Users that are interested in MCGLPPI are comparing it to the libraries listed below
Sorting:
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 7 months ago
- Implementation of PocketXMol, the pocket-interacting molecular generative foundation model.☆46Updated 3 weeks ago
- ☆17Updated 4 months ago
- Learning Structure-based Pocket Representations for Protein-Ligand Interaction Prediction☆33Updated last year
- Implementation of CycPeptMP, an accurate and efficient model for predicting the membrane permeability of cyclic peptides☆22Updated 3 weeks ago
- ☆55Updated last year
- MpbPPI: A multi-task pre-training-based equivariant approach for the prediction of the effect of amino acid mutations on protein-protein …☆14Updated 8 months ago
- ☆24Updated 8 months ago
- Evaluating Protein Binding Interfaces with Transformer Networks☆45Updated last year
- ☆43Updated last year
- This Code is for Fragment-wise 3D Structure-based Molecular Generation with Reliable Geometry☆25Updated 2 months ago
- ☆40Updated last year
- ☆32Updated 2 years ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆53Updated last year
- ☆26Updated last year
- Tool to design cyclic peptides that mimic proteins and target their binding partners.☆13Updated 10 months ago
- Rosetta Funclib☆20Updated 5 years ago
- Graph variational encoders for drug engineering and potentiation☆29Updated last year
- ☆37Updated 2 months ago
- IDPFold test version☆20Updated 8 months ago
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated last month
- Kinase–drug binding prediction with calibrated uncertainty quantification☆23Updated last year
- List of papers about Peptide research using Deep Learning☆25Updated last month
- ☆42Updated last year
- P450Diffusion: A tool for designing P450 sequences based on diffusion model☆24Updated 10 months ago
- ☆35Updated 2 months ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆42Updated last year
- ☆60Updated last year
- Utility for building inverse rotamer assemblies out of a Rosetta matcher/enzdes constraint file.☆20Updated 3 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆52Updated this week