Modelling protein conformational landscape with Alphafold
☆56Aug 29, 2025Updated 6 months ago
Alternatives and similar repositories for AFsample2
Users that are interested in AFsample2 are comparing it to the libraries listed below
Sorting:
- ☆13Dec 5, 2024Updated last year
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…☆18Jun 30, 2025Updated 8 months ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 4 months ago
- Structure prediction of alternative protein conformations☆83Feb 24, 2025Updated last year
- ☆71Nov 25, 2025Updated 3 months ago
- No description yet.☆17Aug 8, 2024Updated last year
- Protein representation and design under a single training scheme☆24Mar 3, 2026Updated 2 weeks ago
- Explicit crosslinks in AlphaFold 3☆23Mar 17, 2025Updated last year
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆44May 22, 2025Updated 9 months ago
- ☆27Feb 10, 2024Updated 2 years ago
- Source code and examples for AlphaFold Unmasked☆78Nov 25, 2025Updated 3 months ago
- ☆10Oct 31, 2025Updated 4 months ago
- In silico directed evolution of peptide binders with AlphaFold☆264Jan 5, 2026Updated 2 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆172Feb 6, 2026Updated last month
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43May 15, 2024Updated last year
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆30Oct 22, 2025Updated 4 months ago
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆517Oct 21, 2025Updated 4 months ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆288Dec 23, 2025Updated 2 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆232Sep 29, 2025Updated 5 months ago
- ☆19Jun 27, 2024Updated last year
- PocketGen (Nature Machine Intelligence 24): Generating Full-Atom Ligand-Binding Protein Pockets☆214Apr 15, 2025Updated 11 months ago
- Implementation for SuperWater☆41Jan 9, 2026Updated 2 months ago
- Python package built on NAMD/OpenMM and OpenMMTools to perform binding free energy calculations using the TIES protocol.☆34Dec 10, 2023Updated 2 years ago
- ☆41Jun 12, 2025Updated 9 months ago
- A Python package to manage protein design workflows on computing clusters and local machines. Documentation can be found here: https://pr…☆40Updated this week
- Toolkit for alphafold3 input and output files☆97Mar 1, 2026Updated 2 weeks ago
- 好的CADD教程，资源总结☆25Apr 8, 2024Updated last year
- ☆13Jul 11, 2023Updated 2 years ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆73Jul 2, 2025Updated 8 months ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆88Jun 23, 2024Updated last year
- An IPython/Jupyter widget for interactive molecular visualization, based on Molstar. This is the Jupyter widget version of nano-protein-…☆45Nov 4, 2025Updated 4 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated last year
- Official repository for DiffPepBuilder and DiffPepDock tools☆119Oct 24, 2025Updated 4 months ago
- ☆92Sep 25, 2024Updated last year
- Code for the paper "Learning to engineer protein flexibility".☆22Jan 21, 2026Updated last month
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆62May 21, 2025Updated 9 months ago
- Protein Origami via Genetic Fusions☆17Sep 19, 2022Updated 3 years ago