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:
- ☆50Updated 3 months ago
- Fully automated high-throughput MD pipeline☆67Updated this week
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆37Updated last month
- ☆30Updated last year
- Fast and accurate molecular docking with an AI pose scoring function☆41Updated last year
- ☆51Updated 2 years ago
- Optimization of binding affinities in chemical space for drug discovery☆35Updated 2 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆26Updated 3 years ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆24Updated last month
- ☆38Updated 4 years ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26Updated 3 months ago
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆24Updated 3 years ago
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 5 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆52Updated 2 months ago
- GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)☆16Updated last year
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Collection of scripts / notebooks to reliably select datasets☆28Updated last year
- ☆20Updated 2 years ago
- ☆45Updated 5 months ago
- ☆93Updated 6 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆41Updated last month
- Improving protein–ligand docking and screening accuracies by incorporating a scoring function correction term☆28Updated 8 months ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- Benchmarking compound activity prediction for real-world drug discovery applications☆14Updated last year
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Comprehensive cardiotoxicity prediction tool of small molecules on three targets: hERG, Nav1.5, Cav1.2☆19Updated 11 months ago
- 3D ligand-based pharmacophore modeling☆50Updated 3 months ago
- scripts to find PBD structures for cancer driver proteins☆31Updated 6 months ago