☆147Aug 8, 2024Updated 2 years ago
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:
- ☆118Apr 17, 2023Updated 3 years ago
- Official repo of "CarsiDock: a deep learning paradigm for accurate protein–ligand docking and screening based on large-scale pre-training…☆119Aug 13, 2025Updated last year
- ☆86Jan 8, 2024Updated 2 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆309Dec 23, 2025Updated 9 months ago
- SurfGen: Learning on Topological Surface and Geometric Structure for 3D Molecular Generation☆77Nov 23, 2024Updated last year
- 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.
- Diffusion model based protein-ligand flexible docking method☆121Oct 30, 2024Updated last year
- Uni-Dock: a GPU-accelerated molecular docking program☆315Jul 20, 2026Updated 2 months ago
- ☆81Apr 7, 2026Updated 6 months ago
- Open source code for TankBind. Galixir Tenchnologies☆188Nov 1, 2023Updated 2 years ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆258Sep 29, 2025Updated last year
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆145Jul 16, 2025Updated last year
- 3D-MCTS: A general structure-based molecule generation method with MCTS.☆46Jun 26, 2024Updated 2 years ago
- Plausibility checks for generated molecule poses.☆411Oct 3, 2026Updated last week
- Implementation of DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking☆1,579May 2, 2025Updated last year
- 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.
- EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein☆551Feb 19, 2025Updated last year
- The official PyTorch implementation of PGMG: A Pharmacophore-Guided Deep Learning Approach for Bioactive Molecule Generation.☆71Nov 20, 2023Updated 2 years ago
- Augmenting a training dataset of the generative diffusion model for molecular docking with artificial binding pockets☆10Jul 17, 2026Updated 2 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.☆121Oct 27, 2023Updated 2 years ago
- ☆28Aug 20, 2022Updated 4 years ago
- ☆46May 22, 2024Updated 2 years ago
- ☆34Mar 19, 2023Updated 3 years ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆94Sep 28, 2026Updated 2 weeks ago
- Deep Site and Docking Pose (DSDP) is a blind docking strategy accelerated by GPUs, developed by Gao Group. For the site prediction part, …☆65Jun 27, 2025Updated last year
- 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.
- 3D_Molecular_Generation☆116Nov 23, 2024Updated last year
- ☆17Nov 19, 2023Updated 2 years ago
- ☆12Oct 14, 2023Updated 2 years ago
- The BigBind protein-ligand binding dataset (and BayesBind benchmark)☆20Updated this week
- ☆14May 15, 2024Updated 2 years ago
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆65Mar 30, 2026Updated 6 months ago
- Official Repository for the Uni-Mol Series Methods☆1,167May 29, 2025Updated last year
- Pocket2Mol: Efficient Molecular Sampling Based on 3D Protein Pockets☆413Nov 16, 2023Updated 2 years ago
- Protein-ligand structure prediction☆241Jul 31, 2025Updated last year
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆465Sep 11, 2026Updated last month
- A Unified GPU-Accelerated Platform for High-Throughput Structure-Based, Ligand-Based, and Synergistic Hybrid Virtual Screening☆31Feb 24, 2026Updated 7 months ago
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆44Oct 9, 2024Updated 2 years ago
- PSICHIC (pronounced Psychic) - PhySIcoCHemICal graph neural network for learning protein-ligand interaction fingerprints from sequence da…☆144Apr 9, 2026Updated 6 months ago
- Highly accurate and efficient deep learning paradigm for full-atom protein loop modeling with KarmaLoop☆16Jun 9, 2024Updated 2 years ago
- The Binding Affinity Tool (BAT.py) is a fully automated tool for absolute binding free energy (ABFE) and relative binding free energy (RB…☆226Mar 4, 2026Updated 7 months ago
- FlexPose, a framework for AI-based flexible modeling of protein-ligand binding pose.☆56Dec 27, 2023Updated 2 years ago