Vfold-RNA / RLDOCKLinks
☆33Updated last year
Alternatives and similar repositories for RLDOCK
Users that are interested in RLDOCK are comparing it to the libraries listed below
Sorting:
- ☆51Updated 5 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆24Updated 3 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- ☆30Updated last year
- ☆38Updated 4 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 4 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated last year
- ☆21Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆54Updated this week
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆42Updated 4 months ago
- ☆32Updated 3 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 7 months ago
- ☆52Updated 2 years ago
- This is a machine-learning based protein-ligand scoring function.☆52Updated 5 years ago
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- Fragment-based Molecular Expansion☆23Updated last year
- Collection of scripts / notebooks to reliably select datasets☆29Updated last year
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆29Updated 10 months ago
- ☆38Updated 3 months ago
- Interaction profile extraction, scoring, alignment and evaluation of ShEPhERD. [ICLR 2025]☆30Updated 2 weeks ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆40Updated last week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 5 months ago
- MD pharmacophores and virtual screening☆33Updated last year
- ☆28Updated 2 years ago
- ☆37Updated 3 years ago
- ☆40Updated 7 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year