LDeng0205 / confidence-bootstrappingLinks
Implementation of the Confidence Bootstrapping procedure for protein-ligand docking.
☆27Updated last year
Alternatives and similar repositories for confidence-bootstrapping
Users that are interested in confidence-bootstrapping are comparing it to the libraries listed below
Sorting:
- Learning to design protein-protein interactions with enhanced generalization (ICLR 2024)☆49Updated 2 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆57Updated 6 months ago
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆53Updated 5 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆52Updated last year
- Joint Sequence-Structure Generation of Nucleic Acid and Protein Complexes with SE(3)-Discrete Diffusion☆58Updated last year
- A benchmark for 3D biomolecular structure prediction models☆67Updated 6 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- This repository implements Gibbs sampling with Graph-based Smoothing☆40Updated last year
- dMaSIF implementation for google colab☆35Updated 2 years ago
- Flexible Protein-Protein Docking with a Multi-Track Iterative Transformer.☆98Updated last year
- The official implementation of DiffAbXL benchmarked in the paper "Exploring Log-Likelihood Scores for Ranking Antibody Sequence Designs",…☆89Updated 5 months ago
- Fragment-based Molecular Expansion☆25Updated last year
- Official implementation of Generative Diffusion Models for Antibody Design, Docking, and Optimization.☆60Updated 2 years ago
- PoseX: A Molecular Docking Benchmark☆59Updated 5 months ago
- Multi-target de novo molecular generator conditioned on AlphaFold's latent protein embeddings.☆68Updated 8 months ago
- Benchmarking code accompanying the release of `bioemu`☆48Updated 2 weeks ago
- Structure prediction of alternative protein conformations☆80Updated 9 months ago
- ☆39Updated 6 months ago
- Controlling the usage of hydrophobic residues on AfDesign for binder peptide design with AlphaFold hallucination protocol☆32Updated 2 years ago
- DFMDock (Denoising Force Matching Dock), a diffusion model that unifies sampling and ranking within a single framework.☆51Updated 4 months ago
- Implementation of Protein Invariant Point Packer (PIPPack)☆35Updated last year
- code for SeqDance/ESMDance, biophysics-informed protein language models☆41Updated 8 months ago
- ☆39Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆84Updated last year
- Code for the paper "Learning to engineer protein flexibility".☆22Updated 3 weeks ago
- Codebase of the paper "Str2Str: A Score-based Framework for Zero-shot Protein Conformation Sampling" (ICLR 2024)☆80Updated last year
- ☆33Updated last year
- Guiding diffusion models for antibody sequence and structure co-design with developability properties.☆34Updated last year
- A comprehensive benchmark on the performances of multiple protein backbone generative models.☆64Updated 6 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆41Updated last year