VirtualFlow for Virtual Screening
☆197Aug 31, 2025Updated 9 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☆65Aug 31, 2025Updated 9 months ago
- ☆32Jan 27, 2024Updated 2 years ago
- Streamlined version of VirtualFlow combining both VFVS and VFLP☆22Jun 2, 2023Updated 3 years ago
- MD pharmacophores and virtual screening☆34Dec 15, 2023Updated 2 years ago
- AutoDock for GPUs and other accelerators☆587Jun 5, 2026Updated 3 weeks 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.
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆693Oct 30, 2025Updated 7 months ago
- AI-powered Virtual Screening☆94Jun 23, 2023Updated 3 years ago
- The code for the QuickVina homepage.☆36Nov 7, 2022Updated 3 years ago
- ☆142Nov 18, 2018Updated 7 years ago
- A deep learning framework for molecular docking☆943Jun 21, 2026Updated last week
- ☆101Feb 24, 2025Updated last year
- dockECR: open consensus docking and ranking protocol for virtual screening of small molecules☆28Oct 15, 2021Updated 4 years ago
- Accurately speed up AutoDock Vina☆173Nov 7, 2023Updated 2 years ago
- RF-Score-VS binary☆33Nov 18, 2018Updated 7 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Official repository for the Deep Docking protocol☆128Nov 30, 2023Updated 2 years ago
- 3D ligand-based pharmacophore modeling☆55Apr 18, 2026Updated 2 months ago
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆72Nov 20, 2023Updated 2 years ago
- Python API for Pharmer☆12Jun 14, 2019Updated 7 years ago
- AutoDock Vina☆1,010Feb 25, 2026Updated 4 months ago
- ☆17Mar 11, 2023Updated 3 years ago
- Software tools for fragment-based drug discovery (FBDD)☆27Apr 6, 2020Updated 6 years ago
- Simple package for fast molecular similarity searches☆173Mar 11, 2026Updated 3 months ago
- an integrated tool for molecular docking and virtual screening☆80Jun 12, 2026Updated 2 weeks ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- This is a SnakeMake based workflow for ABFE calculations that can be easily scaled in a high-throughput manner via Slurm for example.☆65Dec 17, 2025Updated 6 months ago
- Computational Chemistry Workflows☆56Jul 19, 2022Updated 3 years ago
- ☆100Aug 23, 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…☆225Mar 4, 2026Updated 3 months ago
- Open Drug Discovery Toolkit☆466Dec 13, 2022Updated 3 years ago
- Interface for AutoDock, molecule parameterization☆371Jun 15, 2026Updated 2 weeks ago
- Speed virtual screening by 50X☆100Mar 24, 2023Updated 3 years ago
- RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patch…☆74Aug 23, 2022Updated 3 years ago
- Code and resources for the EPSRC BioSimSpace project.☆78Sep 1, 2025Updated 9 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.
- An Open-Source Molecular Builder and Free Energy Preparation Workflow☆143Nov 10, 2025Updated 7 months ago
- PCA and normal mode analysis of proteins☆21May 16, 2024Updated 2 years ago
- An efficient approach to RMSD-Based HDBSCAN Clustering of long Molecular Dynamics☆18Sep 11, 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.☆117Oct 27, 2023Updated 2 years ago
- FEP-SPell-ABFE: An Open Source Alchemical Absolute Binding Free Energy Calculation Workflow for Drug Discovery☆87Jan 8, 2025Updated last year
- An open library to work with pharmacophores.☆53Jul 6, 2023Updated 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…☆480Mar 9, 2026Updated 3 months ago