aivant / pepprLinks
It's a package for evaluation of predicted poses, right?
☆72Updated last month
Alternatives and similar repositories for peppr
Users that are interested in peppr are comparing it to the libraries listed below
Sorting:
- ☆69Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated 2 weeks ago
- Structure prediction and design of proteins with noncanonical amino acids☆112Updated last week
- A benchmark for 3D biomolecular structure prediction models☆67Updated 7 months ago
- ☆67Updated 7 months ago
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆96Updated 6 months ago
- ☆52Updated 2 weeks ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 6 months ago
- mdml: Deep Learning for Molecular Simulations☆48Updated 6 months ago
- TMol☆49Updated this week
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 2 months ago
- ☆61Updated last month
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 8 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated 2 weeks ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆110Updated last month
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆51Updated 4 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆72Updated last month
- ☆78Updated last month
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 5 months ago
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆123Updated last year
- A benchmark dataset for protein-ligand co-folding prediction☆41Updated 4 months ago
- Calculation of interatomic interactions in molecular structures☆112Updated last year
- ☆47Updated 7 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆127Updated last month
- Ligand-Protein Interaction Mapping☆67Updated 7 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- ☆74Updated 6 months ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 9 months ago
- ☆45Updated 3 weeks ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆156Updated this week