plinder-org / runs-n-posesLinks
A benchmark dataset for protein-ligand co-folding prediction
☆33Updated last month
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 last month
- Structure prediction and design of proteins with noncanonical amino acids☆99Updated this week
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆34Updated 11 months ago
- ☆32Updated 2 years ago
- A benchmark for 3D biomolecular structure prediction models☆65Updated 4 months ago
- Convert coarse-grained protein structure to all-atom model☆43Updated 3 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆54Updated 4 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 6 months ago
- List of papers about Peptide research using Deep Learning☆27Updated 5 months ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 4 months ago
- ☆69Updated last year
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆54Updated last year
- Integrated physics-based and ligand-based modeling.☆64Updated 3 years ago
- A Score-Only Adaptation of AlphaFold3 for Biomolecular Structure Evaluation☆72Updated last month
- Scores for Hydrophobicity and Charges based on SASAs☆37Updated 3 months ago
- Training and inference code for ShEPhERD: Diffusing shape, electrostatics, and pharmacophores for bioisosteric drug design [ICLR 2025 ora…☆77Updated 2 weeks ago
- ☆46Updated 6 months ago
- Fast, accurate, and deterministic protein side-chain packing☆36Updated 6 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆38Updated this week
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- ☆51Updated 4 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆52Updated 4 months ago
- Quick mapping of Uniprot sequences to PDB structures☆33Updated 5 months ago
- POLYGON VAE For de novo Polypharmacology☆38Updated 6 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 7 months ago
- ☆34Updated 2 years ago
- ☆84Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Protein-Ligand Binding Affinity Prediction with GNN and Transfer Learning From Protein Language Models☆33Updated 2 weeks ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆16Updated 10 months ago