plinder-org / runs-n-posesLinks
A benchmark dataset for protein-ligand co-folding prediction
☆35Updated 2 months ago
Alternatives and similar repositories for runs-n-poses
Users that are interested in runs-n-poses are comparing it to the libraries listed below
Sorting:
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated 2 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆100Updated last week
- A benchmark for 3D biomolecular structure prediction models☆66Updated 5 months ago
- ☆69Updated last year
- ☆58Updated 2 months ago
- Convert coarse-grained protein structure to all-atom model☆44Updated 4 months ago
- ☆35Updated 2 years ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 4 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆54Updated 4 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆55Updated 5 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 2 months ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆74Updated 2 months ago
- Deep generative modeling of protein structural ensembles☆28Updated 3 weeks ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- ☆48Updated 6 months ago
- ☆42Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆40Updated 3 weeks ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 7 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Quick mapping of Uniprot sequences to PDB structures☆34Updated 6 months ago
- It's a package for evaluation of predicted poses, right?☆70Updated last week
- Sidechain conditioning and modeling for full-atom protein sequence design☆121Updated 3 months ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Updated last week
- Updated Protpardelle models with more robust motif scaffolding and multichain support☆40Updated this week
- Modelling protein conformational landscape with Alphafold☆53Updated last month
- PoseX: A Molecular Docking Benchmark☆51Updated 3 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 6 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆77Updated last week
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated last year
- scripts to find PBD structures for cancer driver proteins☆31Updated 7 months ago