Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina
☆64Jun 26, 2026Updated 3 weeks ago
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☆379Jul 10, 2026Updated last week
- Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock☆56Updated this week
- A heterogeneous OpenCL implementation of AutoDock Vina☆89Oct 27, 2023Updated 2 years ago
- Computational Chemistry Workflows☆57Jul 19, 2022Updated 4 years ago
- Screening protocol with AUTODOCK-GPU☆14Feb 27, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆26May 22, 2025Updated last year
- Tool to predict water molecules placement and energy in ligand binding sites☆37Sep 16, 2025Updated 10 months ago
- Uni-Dock: a GPU-accelerated molecular docking program☆303Updated this week
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆33Jun 9, 2026Updated last month
- ☆28Oct 31, 2022Updated 3 years ago
- ☆29Feb 27, 2026Updated 4 months ago
- Open-source tool to generate 3D-ready small molecules for virtual screening☆85Nov 18, 2025Updated 8 months ago
- 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 4 months ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- substructure search in large combinatorial spaces using openchemlib☆23Jun 22, 2026Updated 3 weeks ago
- an integrated tool for molecular docking and virtual screening☆84Jun 12, 2026Updated last month
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- ☆101Feb 24, 2025Updated last year
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆142Jan 13, 2026Updated 6 months ago
- ☆17Nov 14, 2022Updated 3 years ago
- ☆54Jan 17, 2026Updated 6 months ago
- 🔥 PyTorch implementation of GNINA scoring function for molecular docking☆76Apr 21, 2026Updated 3 months ago
- AutoDock for GPUs and other accelerators☆600Updated this week
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- ☆13Jul 5, 2024Updated 2 years ago
- ☆56Nov 24, 2022Updated 3 years ago
- ☆14Jul 5, 2022Updated 4 years ago
- AutoDock Vina☆1,031Feb 25, 2026Updated 4 months ago
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆174May 22, 2026Updated 2 months ago
- A python API for fragalysis (fragalysis.diamond.ac.uk)☆13May 22, 2023Updated 3 years ago
- ☆90Jul 19, 2023Updated 3 years ago
- Practical Cheminformatics Blog Posts☆73Feb 10, 2026Updated 5 months ago
- ☆28Jan 9, 2024Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- Vina-GPU 2.0 accelerates AutoDock Vina and its related commonly derived docking methods, such as QuickVina 2 and QuickVina-W with GPUs.☆118Oct 27, 2023Updated 2 years ago
- ☆19Dec 2, 2025Updated 7 months ago
- ☆100Aug 23, 2024Updated last year
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆283Oct 30, 2023Updated 2 years ago
- ☆13Dec 29, 2022Updated 3 years ago
- ☆20Jul 3, 2024Updated 2 years ago