☆136Aug 8, 2024Updated last year
Alternatives and similar repositories for KarmaDock
Users that are interested in KarmaDock are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- ☆116Apr 17, 2023Updated 2 years ago
- ☆84Jan 8, 2024Updated 2 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆114Aug 13, 2025Updated 8 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆296Dec 23, 2025Updated 3 months ago
- ☆79Apr 7, 2026Updated last week
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆76Nov 23, 2024Updated last year
- Uni-Dock: a GPU-accelerated molecular docking program☆291Updated this week
- Diffusion model based protein-ligand flexible docking method☆118Oct 30, 2024Updated last year
- Open source code for TankBind. Galixir Tenchnologies☆179Nov 1, 2023Updated 2 years ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆141Jul 16, 2025Updated 8 months ago
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆45Jun 26, 2024Updated last year
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆240Sep 29, 2025Updated 6 months ago
- Plausibility checks for generated molecule poses.☆369Mar 7, 2026Updated last month
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆70Nov 20, 2023Updated 2 years ago
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,479May 2, 2025Updated 11 months ago
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆542Feb 19, 2025Updated last year
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Aug 5, 2025Updated 8 months 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
- ☆28Aug 20, 2022Updated 3 years ago
- ☆40May 22, 2024Updated last year
- ☆32Mar 19, 2023Updated 3 years ago
- 3D_Molecular_Generation☆109Nov 23, 2024Updated last year
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆64Jun 27, 2025Updated 9 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.
- ☆11Oct 14, 2023Updated 2 years ago
- ☆17Nov 19, 2023Updated 2 years ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆90Oct 6, 2025Updated 6 months ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Nov 14, 2024Updated last year
- ☆14May 15, 2024Updated last year
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆392Nov 16, 2023Updated 2 years ago
- Official Repository for the Uni-Mol Series Methods☆1,092May 29, 2025Updated 10 months ago
- Protein-ligand structure prediction☆240Jul 31, 2025Updated 8 months ago
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆15Jun 9, 2024Updated last year
- 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.
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆222Mar 4, 2026Updated last month
- ☆71Jul 19, 2023Updated 2 years ago
- ☆62Oct 25, 2022Updated 3 years ago
- An accurate and trainable end-to-end protein-ligand docking framework☆128Mar 24, 2025Updated last year
- A deep learning framework for molecular docking☆890Feb 26, 2026Updated last month
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆130Updated this week