forlilab / RingtailLinks
Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
☆58Updated this week
Alternatives and similar repositories for Ringtail
Users that are interested in Ringtail are comparing it to the libraries listed below
Sorting:
- ☆101Updated 11 months ago
- Fully automated high-throughput MD pipeline☆88Updated last week
- Computational Chemistry Workflows☆56Updated 3 years ago
- Ligand-Protein Interaction Mapping☆77Updated 9 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last month
- Simple protein-ligand complex simulation with OpenMM☆91Updated 2 years ago
- Open-source online virtual screening tools for large databases☆35Updated last month
- Fully automated docking pipeline (can be run in distributed environments)☆55Updated last month
- All in one Structure-Based Virtual Screening workflow based on the concept of consensus docking.☆50Updated 3 months ago
- rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It…☆67Updated 11 months ago
- Open-source tool to generate 3D-ready small molecules for virtual screening☆79Updated 2 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆47Updated 2 months ago
- Collection of tools to calculate properties of natural or synthetic peptides and proteins.☆54Updated last month
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆69Updated 2 months ago
- An open library to work with pharmacophores.☆49Updated 2 years ago
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 10 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆31Updated this week
- ☆70Updated last year
- Full automation of relative protein-ligand binding free energy calculations in GROMACS☆46Updated 4 years ago
- Kinase-focused fragment library☆67Updated last week
- A snakemake-based workflow for FEP and MM(PB/GB)SA calculations with GROMACS☆143Updated last week
- pyCHARMM tutorial, documentation and examples. This repository contains materials originally from the pyCHARMM Workshop run at the Univer…☆72Updated last week
- Gaussian Accelerated Molecular Dynamics (GaMD) is a computational method for both unconstrained enhanced sampling and free energy calcula…☆92Updated 6 months ago
- Automated molecular dynamics simulations workflow for high-throughput assessment of protein-ligand dynamics☆23Updated 2 years ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆162Updated last week
- Structure prediction and design of proteins with noncanonical amino acids☆118Updated last week
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆63Updated 7 months ago
- Open-source tool for synthons-based library design.☆85Updated last year
- Open Source, Automated free binding free energy calculation between protein and small molecule. An all-in-one workflow, free energy pertu…☆59Updated 9 months ago
- ☆54Updated 9 months ago