Modelling protein conformational landscape with Alphafold
☆56Aug 29, 2025Updated 7 months ago
Alternatives and similar repositories for AFsample2
Users that are interested in AFsample2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
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 9 months ago
- ML-optimized library design with improved fitness and diversity for protein engineering☆37Nov 5, 2025Updated 5 months ago
- Structure prediction of alternative protein conformations☆83Feb 24, 2025Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- No description yet.☆17Aug 8, 2024Updated last year
- Protein representation and design under a single training scheme☆24Mar 3, 2026Updated last month
- Explicit crosslinks in AlphaFold 3☆23Mar 17, 2025Updated last year
- P2DFlow: A Protein Ensemble Generative Model with SE(3) Flow Matching☆43May 22, 2025Updated 10 months ago
- ☆80Nov 25, 2025Updated 4 months ago
- ☆27Feb 10, 2024Updated 2 years ago
- Source code and examples for AlphaFold Unmasked☆78Nov 25, 2025Updated 4 months ago
- ☆10Oct 31, 2025Updated 5 months ago
- In silico directed evolution of peptide binders with AlphaFold☆265Jan 5, 2026Updated 3 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- 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.☆173Feb 6, 2026Updated 2 months ago
- 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☆31Updated this week
- AlphaFold Meets Flow Matching for Generating Protein Ensembles☆520Mar 22, 2026Updated 2 weeks ago
- repo for DynamicBind: Predicting ligand-specific protein-ligand complex structure with a deep equivariant generative model☆293Dec 23, 2025Updated 3 months ago
- SurfDock is a Surface-Informed Diffusion Generative Model for Reliable and Accurate Protein-ligand Complex Prediction☆237Sep 29, 2025Updated 6 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
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- 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
- Toolkit for alphafold3 input and output files☆100Mar 30, 2026Updated last week
- A Python package to manage protein design workflows on computing clusters and local machines. Documentation can be found here: https://pr…☆41Apr 2, 2026Updated last week
- Implementation for SuperWater☆42Jan 9, 2026Updated 3 months ago
- ☆13Jul 11, 2023Updated 2 years ago
- 好的CADD教程，资源总结☆25Apr 8, 2024Updated 2 years ago
- HyperMPNN ‒ A general strategy to design thermostable proteins learned from hyperthermophiles☆73Jul 2, 2025Updated 9 months ago
- Pytorch implementation for ICML 2024 paper Proteus: Exploring Protein Structure Generation for Enhanced Designability and Efficiency.☆88Jun 23, 2024Updated last year
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- An IPython/Jupyter widget for interactive molecular visualization, based on Molstar. This is the Jupyter widget version of nano-protein-…☆47Nov 4, 2025Updated 5 months ago
- Python code to run Supervised Molecular Dynamics (SuMD) simulations☆16Apr 24, 2024Updated last year
- Official repository for DiffPepBuilder and DiffPepDock tools☆124Oct 24, 2025Updated 5 months ago
- ☆92Sep 25, 2024Updated last year
- Code for the paper "Learning to engineer protein flexibility".☆23Mar 24, 2026Updated 2 weeks ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆63May 21, 2025Updated 10 months ago
- Protein Origami via Genetic Fusions☆18Sep 19, 2022Updated 3 years ago