VirtualFlow for Virtual Screening
☆197Jul 6, 2026Updated 3 months ago
Alternatives and similar repositories for VFVS
Users that are interested in VFVS are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- VirtualFlow for Ligand Preparation☆64Aug 31, 2025Updated last year
- ☆32Jan 27, 2024Updated 2 years ago
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆22Jul 6, 2026Updated 3 months ago
- AI-powered Virtual Screening☆94Jun 23, 2023Updated 3 years ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆727Jul 3, 2026Updated 3 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- A deep learning framework for molecular docking☆1,007Updated this week
- ☆151Nov 18, 2018Updated 7 years ago
- MD pharmacophores and virtual screening☆35Dec 15, 2023Updated 2 years ago
- ☆17Mar 11, 2023Updated 3 years ago
- AutoDock for GPUs and other accelerators☆614Aug 11, 2026Updated 2 months ago
- The code for the QuickVina homepage.☆37Nov 7, 2022Updated 3 years ago
- Open Drug Discovery Toolkit☆476Oct 4, 2026Updated 3 weeks ago
- Flexible Artificial Intelligence Docking☆20Aug 27, 2025Updated last year
- 3D ligand-based pharmacophore modeling☆57Apr 18, 2026Updated 6 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.
- Uni-Dock: a GPU-accelerated molecular docking program☆315Jul 20, 2026Updated 3 months ago
- Official repository for the Deep Docking protocol☆131Nov 30, 2023Updated 2 years ago
- Accurately speed up AutoDock Vina☆176Sep 3, 2026Updated last month
- RF-Score-VS binary☆33Nov 18, 2018Updated 7 years ago
- ☆91Jul 19, 2023Updated 3 years ago
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆28Oct 15, 2021Updated 5 years ago
- ☆101Feb 24, 2025Updated last year
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆70Dec 16, 2024Updated last year
- 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
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- Simple package for fast molecular similarity searches☆185Jul 16, 2026Updated 3 months ago
- ☆23Dec 11, 2024Updated last year
- an integrated tool for molecular docking and virtual screening☆86Jun 12, 2026Updated 4 months ago
- Parallel Molecular Docking using PLANTS software☆15Dec 8, 2024Updated last year
- AutoDock Vina☆1,091Oct 15, 2026Updated 2 weeks ago
- ☆14Aug 29, 2024Updated 2 years ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆513Mar 9, 2026Updated 7 months ago
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆66Dec 17, 2025Updated 10 months ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆119Aug 13, 2025Updated last year
- 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.
- AdaptiveFlow for Ligand Preparation (AFLP)☆10May 27, 2026Updated 5 months ago
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆90Jan 8, 2025Updated last year
- 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
- A convolutional neural network for classifying binding pockets based on spatial and chemical information extracted from the pockets.☆107Feb 25, 2021Updated 5 years ago
- Code and resources for the EPSRC BioSimSpace project.☆78Sep 1, 2025Updated last year
- pythonic interface to virtual screening software☆95Sep 4, 2025Updated last year
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago