Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
☆67Oct 29, 2026Updated this week
Alternatives and similar repositories for Ringtail
Users that are interested in Ringtail are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Interface for AutoDock, molecule parameterization☆390Updated this week
- Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock☆62Oct 23, 2026Updated last week
- galaxydock_dl for public☆11Dec 22, 2024Updated last year
- Tool to predict water molecules placement and energy in ligand binding sites☆41Sep 16, 2025Updated last year
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆36Jun 9, 2026Updated 4 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆226Mar 4, 2026Updated 7 months ago
- Uni-Dock: a GPU-accelerated molecular docking program☆315Jul 20, 2026Updated 3 months ago
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- Open-source tool to generate 3D-ready small molecules for virtual screening☆87Oct 4, 2026Updated 3 weeks ago
- Generates and scores synthetically tractable elaborations from fragment screens☆45Oct 14, 2026Updated 2 weeks ago
- ☆10Mar 11, 2023Updated 3 years ago
- AutoDock for GPUs and other accelerators☆614Aug 11, 2026Updated 2 months ago
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years ago
- A deep learning framework for molecular docking☆1,008Updated this week
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A heterogeneous OpenCL implementation of AutoDock Vina☆90Oct 27, 2023Updated 3 years ago
- New implementation of `Topology.from_pdb`☆12Oct 23, 2026Updated last week
- Interaction Fingerprints for protein-ligand complexes and more☆553Updated this week
- ☆16Aug 8, 2025Updated last year
- ML-guided visual inspection for molecular docking☆22Jun 3, 2025Updated last year
- Vina-GPU 2.1, an improved docking toolkit for faster speed and higher accuracy on the virtual screening☆176Oct 1, 2024Updated 2 years ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆179Updated this week
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆154Jan 13, 2026Updated 9 months ago
- ☆102Aug 23, 2024Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- ☆21Sep 29, 2026Updated last month
- The official codebase for the paper "A Hitchhiker's Guide to Deep Chemical Language Processing for Bioactivity Prediction"☆13Mar 26, 2025Updated last year
- ☆101Feb 24, 2025Updated last year
- AutoDock Vina☆1,091Oct 15, 2026Updated 2 weeks ago
- ☆28Oct 31, 2022Updated 3 years ago
- Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.☆121Oct 27, 2023Updated 3 years ago
- ☆57Nov 24, 2022Updated 3 years ago
- an integrated tool for molecular docking and virtual screening☆86Jun 12, 2026Updated 4 months ago
- ☆28Jan 9, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- AutoGrow4 is an open-source program for semi-automated computer-aided drug discovery. It uses a genetic algorithm to evolve predicted lig…☆61Oct 7, 2025Updated last year
- Auto3D generates low-energy conformers from SMILES/SDF☆196Oct 23, 2026Updated last week
- Practical Cheminformatics Blog Posts☆73Feb 10, 2026Updated 8 months ago
- active learning for accelerated high-throughput virtual screening☆215Jun 15, 2024Updated 2 years ago
- ☆17Nov 14, 2022Updated 3 years ago
- OpenMM-based framework for absolute and relative binding free energy calculations with the Alchemical Transfer Method☆174Aug 18, 2026Updated 2 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆289Oct 30, 2023Updated 3 years ago