☆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☆89Jun 23, 2023Updated 2 years ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Aug 5, 2025Updated 9 months ago
- ☆55Nov 24, 2022Updated 3 years ago
- SpaceHASTEN: A structure-based virtual screening tool for non-enumerated virtual chemical libraries☆18Feb 12, 2026Updated 3 months ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- WaterDock-2.0 implementation with Akshay Sridhar☆21Nov 2, 2023Updated 2 years ago
- Consensus pharmacophore for Drug Design☆15Aug 22, 2025Updated 8 months ago
- PROTACable is an end-to-end in-silico design toolkit for novel PROTACs☆31Jun 3, 2024Updated last year
- Official repository for the Deep Docking protocol☆126Nov 30, 2023Updated 2 years ago
- MSMD (mixed-solvent molecular dynamics) engine and analysis tools☆19Apr 16, 2026Updated last month
- Dynamic pharmacophore modeling of molecular interactions☆44Apr 26, 2024Updated 2 years ago
- Fully automated high-throughput MD pipeline☆93Mar 11, 2026Updated 2 months 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
- 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.
- ☆22Oct 2, 2024Updated last year
- Generation of new putative Mdmx inhibitors from scratch based on Recurrent Neural Networks and molecular docking.☆10Jun 27, 2019Updated 6 years ago
- Tautomer ratios in solution☆28Sep 20, 2021Updated 4 years ago
- CReM-dock: generation of chemically reasonable molecules guided by molecular docking☆31May 9, 2026Updated last week
- ML-guided visual inspection for molecular docking☆21Jun 3, 2025Updated 11 months ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆41Oct 30, 2023Updated 2 years ago
- Vina-CUDA: further accelerating Autodock Vina with in-depth utilization of GPU hardware characteristics☆46Jun 24, 2025Updated 10 months ago
- ☆53Jan 15, 2026Updated 4 months ago
- A potential solution to the early-stage small molecule hit identification☆16Jan 27, 2026Updated 3 months 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.
- Examples of MolScore implementations☆12May 30, 2024Updated last year
- ☆13Apr 4, 2025Updated last year
- Code for ApoDock☆20Apr 7, 2025Updated last year
- ☆14May 15, 2024Updated 2 years ago
- moldrug (AKA mouse) is a Python package for drug-oriented optimization on the chemical space ☆39Mar 30, 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 3 weeks ago
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- Implementation for SuperWater☆47Jan 9, 2026Updated 4 months ago
- ☆54Jan 17, 2026Updated 4 months 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.
- ML Prediction for Rf values☆14Sep 8, 2022Updated 3 years ago
- Systemic Evolutionary Chemical Space Exploration for Drug Discovery☆92Sep 2, 2025Updated 8 months ago
- AstraZeneca add-ons to Orange.☆23Jun 15, 2020Updated 5 years ago
- ☆16Dec 24, 2016Updated 9 years ago
- ☆20Jul 3, 2024Updated last year
- DSDPFlex: Flexible-Receptor Docking with GPU Acceleration☆25Dec 24, 2025Updated 4 months ago
- Protein-ligand binding sites prediction toolkits☆21Jan 2, 2019Updated 7 years ago