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:
- Improving Structure-Based Virtual Screening with Ensemble Docking and Machine Learning☆23Updated 3 years ago
- ☆48Updated last month
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆48Updated last week
- MD pharmacophores and virtual screening☆33Updated last year
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated last month
- Integrative modeling of PROTAC-mediated ternary complex☆27Updated 3 years ago
- A deep learning framework for predicting interactions between protein-protein interaction targets and modulators☆14Updated last year
- Python package to facilitate the use of popular docking software☆16Updated 2 years ago
- Fully automated high-throughput MD pipeline☆61Updated last week
- Tutorial to build AMBER compatable protein+lipid systems☆15Updated 8 years ago
- Optimization of binding affinities in chemical space for drug discovery☆36Updated 2 years ago
- ☆37Updated 3 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Knowledge-Guided Diffusion Model for 3D Ligand-Pharmacophore Mapping☆34Updated 2 weeks ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆59Updated 2 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆25Updated 3 years ago
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆23Updated 6 months ago
- ☆28Updated last year
- ☆25Updated 11 months ago
- ☆20Updated 2 years ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 4 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆72Updated 3 weeks ago
- GCN implementation for RNA-small molecule binding prediction. (https://academic.oup.com/nar/article/48/14/7690/5870337)☆16Updated last year
- Benchmarking compound activity prediction for real-world drug discovery applications☆12Updated last year
- Computational Chemistry Workflows☆53Updated 2 years ago
- OnionNet-2 is constructed based on convolutional neural network (CNN) to predict the protein-ligand binding affinity.☆19Updated last year
- A knowledge-based method for determining small molecule binding "hotspots".☆37Updated last year
- Scripts to do docking, single virtual screening, and etc.☆19Updated last year