forlilab / RingtailLinks
Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
☆52Updated 2 months ago
Alternatives and similar repositories for Ringtail
Users that are interested in Ringtail are comparing it to the libraries listed below
Sorting:
- ☆93Updated 6 months ago
- Fully automated high-throughput MD pipeline☆70Updated 2 weeks ago
- Ligand-Protein Interaction Mapping☆62Updated 4 months ago
- Open-source tool to generate 3D-ready small molecules for virtual screening☆63Updated last month
- Simple protein-ligand complex simulation with OpenMM☆87Updated 2 years ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated 2 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆38Updated last month
- Fully automated docking pipeline (can be run in distributed environments)☆48Updated this week
- rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…☆58Updated 6 months ago
- An open library to work with pharmacophores.☆45Updated 2 years ago
- Quick mapping of Uniprot sequences to PDB structures☆33Updated 5 months ago
- ☆69Updated last year
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆114Updated 10 months ago
- Kinase-focused fragment library☆65Updated last week
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆41Updated last month
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆27Updated this week
- Computational Chemistry Workflows☆55Updated 3 years ago
- Binding pocket optimization based on force fields and docking scoring functions☆34Updated 5 months ago
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆53Updated 4 months ago
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆53Updated 2 months ago
- pyKVFinder: Python-C parallel KVFinder☆26Updated this week
- De novo drug design with deep interactome learning☆37Updated 3 months ago
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆83Updated last month
- Open-source online virtual screening tools for large databases☆29Updated last year
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 2 months ago
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆47Updated 7 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆146Updated this week
- ☆51Updated 4 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆74Updated 2 weeks ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆72Updated 5 months ago