A flow matching model for generating conformational ensembles of protein backbones.
☆35Jan 7, 2026Updated last month
Alternatives and similar repositories for bbflow
Users that are interested in bbflow are comparing it to the libraries listed below
Sorting:
- Reactive MD pipeline for GROMACS using Kinetic Monte Carlo / Molecular Dynamics (KIMMDY)☆14Jan 2, 2026Updated 2 months ago
- AlphaFold version that is extended to integrate diversity parameters for massive sampling.☆16Feb 13, 2026Updated 3 weeks ago
- Fast protein backbone flexibility prediction model☆34Jan 4, 2026Updated 2 months ago
- Histidine Protonation State Optimizer for setting up MD simulations based on semi-empirical QM resonance☆20Jan 26, 2026Updated last month
- asyncmd is a library to write concurrent code to run and analyze molecular dynamics simulations using pythons async/await syntax. Computa…☆20Dec 15, 2025Updated 2 months ago
- Humanness of de-novo designed proteins☆39May 19, 2025Updated 9 months ago
- This repository houses all the scripts and notebooks utilized for generating, analyzing, and validating the mdCATH dataset. Some user ex…☆57Dec 16, 2025Updated 2 months ago
- Neural Iterative Selection-Expansion using LigandMPNN/LASErMPNN and Boltz-2x☆31Feb 12, 2026Updated 3 weeks ago
- An open-source deep learning framework for data mining of protein-protein interfaces or single-residue variants.☆57Dec 18, 2024Updated last year
- ☆20May 7, 2024Updated last year
- PLMAlign utilizes per-residue embeddings as input to obtain specific alignments and more refined similarity☆20Sep 9, 2025Updated 5 months ago
- Deep generative modeling of protein structural ensembles☆36Sep 22, 2025Updated 5 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆61Jan 30, 2026Updated last month
- Denoising diffusion probabilistic models for replica exchange☆25Feb 19, 2022Updated 4 years ago
- ☆32Oct 27, 2025Updated 4 months ago
- Public version for Distance-AF☆30Aug 17, 2025Updated 6 months ago
- Structure prediction of alternative protein conformations☆82Feb 24, 2025Updated last year
- Official implementation of "Learning the language of protein structures"☆41Jun 20, 2025Updated 8 months ago
- Joint embedding of protein sequence and structure with discrete and continuous compressions of protein folding model latent spaces. http:…☆150Apr 16, 2025Updated 10 months ago
- rebuilds and completes models of protein complexes using AlphaFold2☆16Feb 26, 2026Updated last week
- A Nextflow pipeline that creates reliable, structure-informed MSAs of thousands of protein sequences which can supplement structural info…☆11Nov 19, 2025Updated 3 months ago
- SO3krates and Universal Pairwise Force Field for Molecular Simulation☆203Feb 16, 2026Updated 2 weeks ago
- Collection of useful bioinformatic functions and tools for various computational biology pipelines☆43Updated this week
- Structure-Informed Protein Language Model☆38Feb 15, 2024Updated 2 years ago
- Entropy from PDB conformational ensembles☆13Mar 28, 2024Updated last year
- Graphical Representation of Ancestral Sequence Predictions☆12Mar 6, 2023Updated 3 years ago
- This package will help you perform a multiple minumum Monte Carlo conformer search as described in Chang et al., 1989. It is built to be …☆32Jan 22, 2026Updated last month
- ☆15Jan 31, 2026Updated last month
- A package to create, visualize, and analysis PDB-derived pseudo-ensembles.☆10Jan 7, 2026Updated last month
- Knowledge graph enhanced LLM for binding affinity prediction☆14Aug 20, 2024Updated last year
- ☆10Oct 31, 2025Updated 4 months ago
- Code for ColabDock paper☆151May 1, 2025Updated 10 months ago
- ☆40Apr 24, 2018Updated 7 years ago
- Scripts to benchmark and train foldseek☆41May 22, 2024Updated last year
- Training Neural Network potentials through customizable routines in JAX.☆63Feb 10, 2026Updated 3 weeks ago
- Protein structure diffusion model for unconditional protein generation and motif scaffolding☆188Jun 24, 2024Updated last year
- p-IgGen: A Generative Paired Antibody Language Model☆13May 6, 2025Updated 10 months ago
- A useful tool for shuffling biological sequences while preserving the k-let counts☆14Apr 23, 2024Updated last year
- Scripts to generate and analyze afdb clusters☆11Sep 15, 2023Updated 2 years ago