Vfold-RNA / RLDOCKLinks
☆32Updated last year
Alternatives and similar repositories for RLDOCK
Users that are interested in RLDOCK are comparing it to the libraries listed below
Sorting:
- ☆53Updated 8 months ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated 2 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆27Updated 4 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆45Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 9 months ago
- ☆38Updated 5 years ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆25Updated 3 years ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated 3 weeks ago
- Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions☆18Updated 2 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 7 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆57Updated this week
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last week
- ☆22Updated 2 years ago
- ☆31Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 7 months ago
- Integrative modeling of PROTAC-mediated ternary complex☆28Updated 3 years ago
- ☆52Updated 3 years ago
- De novo design of small molecule binding sites into proteins☆12Updated 4 years ago
- MD pharmacophores and virtual screening☆34Updated 2 years ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated 3 weeks ago
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- Icolos: A workflow manager for structure based post-processing of de novo generated small molecules☆55Updated 2 years ago
- a tool for protein-ligand binding affinity prediction☆37Updated 2 years ago
- ☆101Updated 10 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated 2 years ago
- GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)☆16Updated 2 years ago
- A Multi-Task Generative model for Structure-Based Drug Design☆56Updated this week
- Fully automated high-throughput MD pipeline☆86Updated last week