Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
☆27Feb 29, 2024Updated 2 years ago
Alternatives and similar repositories for confidence-bootstrapping
Users that are interested in confidence-bootstrapping are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆56Jun 19, 2025Updated last year
- Implementation of FlowSite and HarmonicFlow from the paper "Harmonic Self-Conditioned Flow Matching for Multi-Ligand Docking and Binding …☆106Jul 30, 2024Updated 2 years ago
- FABind: Fast and Accurate Protein-Ligand Binding (NeurIPS 2023)☆144Jul 16, 2025Updated last year
- Implementation of AlphaFold 3 in PyTorch Lightning + Hydra☆40Oct 4, 2024Updated last year
- A conditionally adapted protein language model for the generation of enzymes☆24Nov 26, 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.
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆302Dec 23, 2025Updated 7 months ago
- Plausibility checks for generated molecule poses.☆398Mar 7, 2026Updated 5 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 3 years ago
- A geometric flow matching model for generative protein-ligand docking and affinity prediction. (ISMB 2025)☆143Sep 3, 2025Updated 11 months ago
- MiniFold: Simple, Fast and Accurate Protein Structure Prediction☆94Jul 10, 2025Updated last year
- Deep learning + physical modeling for 3D protein metal ion binding prediction☆14Feb 24, 2025Updated last year
- A Light-Weight And Interpretable Molecular Docking Model☆26Oct 23, 2024Updated last year
- A diffusion model for structure-based drug design with faster inference from learned representations of protein structure.☆32Dec 18, 2023Updated 2 years ago
- ☆18Dec 5, 2025Updated 8 months 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.
- Protein Ligand INteraction Dataset and Evaluation Resource☆305Updated this week
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆334Oct 6, 2025Updated 10 months ago
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- ☆232Mar 2, 2024Updated 2 years ago
- Diffusion model based protein-ligand flexible docking method☆120Oct 30, 2024Updated last year
- Comprehensive benchmarking of protein-ligand structure prediction methods. (Nature Machine Intelligence)☆241Updated this week
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆177Jun 25, 2026Updated last month
- ☆13Jul 24, 2024Updated 2 years ago
- List of papers on protein binding site prediction☆11Aug 11, 2023Updated 3 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.
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆63Mar 30, 2026Updated 4 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆538Mar 22, 2026Updated 4 months ago
- Official Implementation of Multi-Masked Aggregators for Graph Neural Networks in Pytorch and PyTorch Geometric☆11Mar 24, 2023Updated 3 years ago
- Pose checks for 3D Structure-based Drug Design methods☆100Nov 3, 2024Updated last year
- Coarse-grained and Multi-dimensional Data-driven molecular generation (CMD-GEN). This framework bridges three-dimensional ligand-protein …☆18Sep 13, 2025Updated 11 months ago
- Drug-Target Interaction Prediction Using Convolutional Neural Networks By Images of Compounds☆10Jun 16, 2020Updated 6 years ago
- SE(3)-equivariant point cloud networks for virtual screening☆11Nov 1, 2022Updated 3 years ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆102Jul 29, 2024Updated 2 years ago
- ☆815May 18, 2026Updated 2 months 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.
- Multi-Channel Deep Chemogenomic Modeling of Receptor-Ligand Binding Affinity Prediction for Drug Discovery☆28May 16, 2021Updated 5 years ago
- ☆10Apr 1, 2024Updated 2 years ago
- ☆34Mar 19, 2023Updated 3 years ago
- CovDocker: Benchmarking Covalent Drug Design with Tasks, Datasets, and Solutions (KDD'25 research track accepted)☆17Aug 6, 2025Updated last year
- ☆12Aug 30, 2021Updated 4 years ago
- This is the official code repository for the paper FLOP: Tasks for Fitness Landscapes Of Protein wildtypes by Groth et al.☆23Jun 26, 2023Updated 3 years ago
- EigenFold: Generative Protein Structure Prediction with Diffusion Models☆179Apr 6, 2023Updated 3 years ago