PickyBinders / PickyBinderLinks
Docking Tool Benchmarking Workflow
☆24Updated 11 months ago
Alternatives and similar repositories for PickyBinder
Users that are interested in PickyBinder are comparing it to the libraries listed below
Sorting:
- A surface-based deep learning approach for the prediction of ligand binding sites on proteins☆43Updated 2 years ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 4 months ago
- ☆32Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated 2 weeks ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated last month
- Extension of ThermoMPNN for double mutant predictions☆33Updated 3 months ago
- Enzyme datasets used to benchmark enzyme-substrate promiscuity models☆35Updated 3 years ago
- Code for ApoDock☆20Updated 2 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆72Updated 3 weeks ago
- Python tool for the discovery of similar 3D structural motifs across protein structures.☆27Updated last year
- ☆48Updated last month
- ☆37Updated 3 months ago
- This is a GitHub Repository containing the data and code used for a thorough comparison of 11 ligand binding site prediction tools☆15Updated 7 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated last year
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆59Updated 2 months ago
- This is the public repository for the RING PyMOL plugin developed by the BioComputing UP laboratory at the University of Padua☆27Updated 4 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆48Updated 2 weeks ago
- Fast and accurate molecular docking with an AI pose scoring function☆40Updated last year
- ☆26Updated last month
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆24Updated last week
- DLPacker☆31Updated 10 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆30Updated 2 weeks ago
- Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres☆16Updated 8 months ago
- A benchmark dataset for protein-ligand co-folding prediction☆23Updated 4 months ago
- Cyclic-peptide - protein complexes benchmark and associated scripts and data☆11Updated 9 months ago
- Modelling protein conformational landscape with Alphafold☆51Updated 2 weeks ago
- Clusters protein chains based on CA distance difference☆14Updated 4 months ago
- ☆33Updated last year
- A benchmark for 3D biomolecular structure prediction models☆60Updated last month