☆57Nov 24, 2022Updated 3 years ago
Alternatives and similar repositories for Deep-Docking-NonAutomated
Users that are interested in Deep-Docking-NonAutomated are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Speed virtual screening by 50X☆100Mar 24, 2023Updated 3 years ago
- Official repository for the Deep Docking protocol☆131Nov 30, 2023Updated 2 years ago
- ☆11Oct 3, 2026Updated last week
- ☆37Oct 20, 2022Updated 3 years ago
- Machine Learning Boosted Docking (HASTEN): Accelerate Structure-based Virtual Screening☆42Oct 30, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆20Jul 3, 2024Updated 2 years ago
- ☆29Mar 16, 2023Updated 3 years ago
- Benchmarking active learning protocols for ligand binding affinity prediction☆13Feb 4, 2024Updated 2 years ago
- AI-powered Virtual Screening☆94Jun 23, 2023Updated 3 years ago
- Automatic Fragment Linking with Deep Conditional Transformer Neural Networks☆55Feb 27, 2022Updated 4 years ago
- GNN enabled surrogate modeling for chemical docking☆16Nov 3, 2022Updated 3 years ago
- Ligand binding site prediction and virtual screening☆12Oct 26, 2018Updated 7 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆67Oct 2, 2026Updated last week
- ☆86Dec 4, 2021Updated 4 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.
- Multiscale Simulation Tool for Backmapping☆22Mar 13, 2026Updated 7 months ago
- ☆34Feb 27, 2026Updated 7 months ago
- ☆22Oct 3, 2026Updated last week
- Open-source tool to generate 3D-ready small molecules for virtual screening☆86Oct 4, 2026Updated last week
- ☆42Jan 1, 2024Updated 2 years ago
- ☆61May 9, 2025Updated last year
- ☆101Feb 24, 2025Updated last year
- A molecule generative model used interaction fingerprint (docking pose) as constraints.☆15Feb 13, 2022Updated 4 years ago
- ☆140Nov 6, 2022Updated 3 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.
- active learning for accelerated high-throughput virtual screening☆214Jun 15, 2024Updated 2 years ago
- ☆20Nov 12, 2024Updated last year
- ☆15Apr 4, 2025Updated last year
- Perform probe-guided blind docking with FTMap and DOCK6☆10Apr 25, 2023Updated 3 years ago
- DockStream: A Docking Wrapper to Enhance De Novo Molecular Design☆136Mar 16, 2023Updated 3 years ago
- EXPRORER: Rational cosolvents set construction method for cosolvent molecular dynamics (CMD) with large-scale computation☆11Jul 28, 2022Updated 4 years ago
- Spatiotemporal identification of druggable binding sites using deep learning☆22Jul 13, 2026Updated 3 months ago
- Python 3 fork for the preparation scripts contained in AutoDockTools☆20Aug 12, 2021Updated 5 years ago
- A collection of IPython Notebooks on chemoinformatics☆13Mar 29, 2016Updated 10 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.
- A deep learning framework for molecular docking☆990Jun 29, 2026Updated 3 months ago
- WaterDock-2.0 implementation with Akshay Sridhar☆22Nov 2, 2023Updated 2 years ago
- 💊 A 3D Generative Model for Structure-Based Drug Design (NeurIPS 2021)☆206Feb 12, 2023Updated 3 years ago
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆150Jan 13, 2026Updated 9 months ago
- Enumerate conformational, protomeric, and pH-related microstates for docking with AutoDock☆62Sep 16, 2026Updated 3 weeks ago
- De novo drug design with deep interactome learning☆43Mar 20, 2026Updated 6 months ago
- Repository for MoleGuLAR: Molecule generation using Reinforcement Learning and Alternating Rewards☆26May 18, 2024Updated 2 years ago