☆37Oct 20, 2022Updated 3 years ago
Alternatives and similar repositories for DeepDockingGUI
Users that are interested in DeepDockingGUI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 3 years ago
- AI-powered Virtual Screening☆94Jun 23, 2023Updated 3 years ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Updated this week
- ☆56Nov 24, 2022Updated 3 years ago
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 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.
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 10 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated 2 years ago
- Official repository for the Deep Docking protocol☆130Nov 30, 2023Updated 2 years ago
- Dynamic pharmacophore modeling of molecular interactions☆44Apr 26, 2024Updated 2 years ago
- Fully automated high-throughput MD pipeline☆102Updated this week
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Apr 16, 2026Updated 3 months ago
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 7 years ago
- Speed virtual screening by 50X☆100Mar 24, 2023Updated 3 years ago
- A Python toolkit to compute molecular features and predict activities and properties of small molecules☆21Jan 28, 2022Updated 4 years 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.
- ☆23Oct 2, 2024Updated last year
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 5 months ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆34Jun 17, 2026Updated last month
- ☆40Feb 20, 2026Updated 5 months ago
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated last year
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆41Oct 30, 2023Updated 2 years ago
- Examples of MolScore implementations☆12May 30, 2024Updated 2 years ago
- Repository for Q and Q-FEP modules☆26Updated this week
- 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.
- ☆13Apr 4, 2025Updated last year
- Code for ApoDock☆21Apr 7, 2025Updated last year
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆41Jun 17, 2026Updated last month
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆67Apr 28, 2026Updated 2 months ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 6 years ago
- ML Prediction for Rf values☆14Sep 8, 2022Updated 3 years ago
- ☆14May 15, 2024Updated 2 years ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆92Sep 2, 2025Updated 10 months ago
- ☆54Jan 17, 2026Updated 6 months 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.
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- ☆16Dec 24, 2016Updated 9 years ago
- ☆10Apr 22, 2019Updated 7 years ago
- Repository for the code associated with the paper Impact of applicability domains by Maxime Langevin et al.☆13Feb 19, 2025Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆26Dec 24, 2025Updated 6 months ago
- Protein-ligand binding sites prediction toolkits☆21Jan 2, 2019Updated 7 years ago
- An implementation of the Free-Wilson SAR analysis method using the RDKit☆67Sep 5, 2022Updated 3 years ago