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:
- ☆52Updated 6 months ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆43Updated last week
- Fragment-based Molecular Expansion☆25Updated last year
- ☆38Updated 4 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 4 years ago
- ☆98Updated 9 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆45Updated last week
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 8 months ago
- ☆30Updated last year
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 6 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆25Updated 3 years ago
- ☆52Updated 3 years ago
- GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)☆16Updated 2 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last week
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 2 years ago
- ☆54Updated 8 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆55Updated last month
- ☆41Updated 8 months ago
- Fully automated high-throughput MD pipeline☆84Updated 3 months ago
- ☆19Updated 10 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 5 months ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated 5 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- DeepRMSD+Vina is a computational framework that integrates ligand binding pose optimization and screening.☆43Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆44Updated 5 months ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year