forlilab / RingtailLinks
Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
☆48Updated this week
Alternatives and similar repositories for Ringtail
Users that are interested in Ringtail are comparing it to the libraries listed below
Sorting:
- Open-source tool to generate 3D-ready small molecules for virtual screening☆54Updated 3 weeks ago
- ☆91Updated 3 months ago
- ☆47Updated last month
- Fully automated high-throughput MD pipeline☆61Updated last month
- Binding pocket optimization based on force fields and docking scoring functions☆33Updated 3 months ago
- Computational Chemistry Workflows☆53Updated 2 years ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆24Updated last month
- An open library to work with pharmacophores.☆45Updated last year
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆19Updated last year
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆34Updated last year
- Ligand-Protein Interaction Mapping☆53Updated last month
- Open-source online virtual screening tools for large databases☆23Updated 11 months ago
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆44Updated 4 years ago
- Fully automated docking pipeline (can be run in distributed environments)☆44Updated last week
- Kinase-focused fragment library☆65Updated this week
- ☆28Updated last month
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆25Updated 3 years ago
- ☆65Updated last year
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆45Updated 4 months ago
- pyKVFinder: Python-C parallel KVFinder☆25Updated this week
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆29Updated last year
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆46Updated last month
- MD pharmacophores and virtual screening☆33Updated last year
- RF-Score-VS binary☆31Updated 6 years ago
- Code and datasets from the manuscript "Comparing IC50 or Ki values from different sources is a source of significant noise".☆39Updated last year
- Adds or removes hydrogen atoms to achieve the appropriate molecular protonation state for a user-specified pH range☆31Updated last week
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆39Updated last year
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 4 months ago
- 3D ligand-based pharmacophore modeling☆48Updated last month
- Quick mapping of Uniprot sequences to PDB structures☆31Updated 2 months ago