Modelling protein conformational landscape with Alphafold
☆55Aug 29, 2025Updated 5 months ago
Alternatives and similar repositories for AFsample2
Users that are interested in AFsample2 are comparing it to the libraries listed below
Sorting:
- Official repo for paper "AlphaFold-Multimer accurately captures interactions and dynamics of intrinsically disordered protein regions"☆17Dec 8, 2024Updated last year
- ☆13Dec 5, 2024Updated last year
- Explicit crosslinks in AlphaFold 3☆23Mar 17, 2025Updated 11 months ago
- ☆55Nov 25, 2025Updated 3 months ago
- 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
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆44May 22, 2025Updated 9 months ago
- Structure prediction of alternative protein conformations☆82Feb 24, 2025Updated last year
- No description yet.☆17Aug 8, 2024Updated last year
- ☆27Feb 10, 2024Updated 2 years ago
- Toolkit for alphafold3 input and output files☆97Updated this week
- ML-optimized library design with improved fitness and diversity for protein engineering☆36Nov 5, 2025Updated 3 months ago
- In silico directed evolution of peptide binders with AlphaFold☆262Jan 5, 2026Updated last month
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆170Feb 6, 2026Updated 3 weeks ago
- Protein representation and design under a single training scheme☆24Updated this week
- Implementation for SuperWater☆38Jan 9, 2026Updated last month
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆232Sep 29, 2025Updated 4 months ago
- FASTDock: A Pipeline for Allosteric Drug Discovery - example scripts and jupyter notebook☆19Jun 10, 2023Updated 2 years ago
- CosolvKit is a versatile tool for cosolvent MD preparation and analysis☆29Oct 22, 2025Updated 4 months ago
- Source code and examples for AlphaFold Unmasked☆76Nov 25, 2025Updated 3 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆43May 15, 2024Updated last year
- ☆13Jul 11, 2023Updated 2 years ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆283Dec 23, 2025Updated 2 months ago
- Fragment binding prediction with ColabFold☆41Nov 9, 2025Updated 3 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated last year
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆62May 21, 2025Updated 9 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
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆515Oct 21, 2025Updated 4 months ago
- Contrastive learning and pre-trained encoder (CLAPE) for protein-small molecules binding (SMB) sites prediction☆19Aug 22, 2024Updated last year
- 好的CADD教程，资源总结☆25Apr 8, 2024Updated last year
- ☆27Feb 12, 2025Updated last year
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆85Jun 23, 2024Updated last year
- Official repository for DiffPepBuilder and DiffPepDock tools☆118Oct 24, 2025Updated 4 months ago
- ☆39Jun 12, 2025Updated 8 months ago
- Identifying peptide-receptor interactions using AlphaFold-Multimer☆27Sep 12, 2023Updated 2 years ago
- A Python package to manage protein design workflows on computing clusters and local machines. Documentation can be found here: https://pr…☆40Jan 21, 2026Updated last month
- ☆91Sep 25, 2024Updated last year
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆73Jul 2, 2025Updated 7 months ago
- Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms☆31Dec 8, 2023Updated 2 years ago
- Protein design and sculpting using Rosetta and Deep learning methods (RFDiff and Alphafold2)☆49Feb 20, 2026Updated last week