tiwarylab / af2raveLinks
Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2
☆60Updated last month
Alternatives and similar repositories for af2rave
Users that are interested in af2rave are comparing it to the libraries listed below
Sorting:
- ☆70Updated last year
- A benchmark for 3D biomolecular structure prediction models☆67Updated 8 months ago
- mdml: Deep Learning for Molecular Simulations☆48Updated 7 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆115Updated last month
- Modelling protein conformational landscape with Alphafold☆54Updated 4 months ago
- Convert coarse-grained protein structure to all-atom model☆47Updated 7 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆42Updated last year
- ☆37Updated 2 years ago
- A benchmark dataset for protein-ligand co-folding prediction☆43Updated 5 months ago
- Benchmarking code accompanying the release of `bioemu`☆52Updated last month
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆45Updated last month
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆55Updated 6 months ago
- ☆45Updated last month
- Workflow to clean up and fix structural problems in protein-ligand binding datasets☆66Updated 2 months ago
- ☆47Updated last month
- Fully automated high-throughput MD pipeline☆86Updated last week
- Composing Unbalanced Flows for Flexible Docking and Relaxation (ICLR 2025)☆54Updated 6 months ago
- Scores for Hydrophobicity and Charges based on SASAs☆40Updated 7 months ago
- ☆48Updated this week
- PackDock: a Diffusion Based Side Chain Packing Model for Flexible Protein-Ligand Docking☆49Updated 2 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆36Updated last week
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆60Updated 7 months ago
- Binding pocket optimization based on force fields and docking scoring functions☆37Updated 9 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated last month
- Quick mapping of Uniprot sequences to PDB structures☆36Updated 9 months ago
- ☆32Updated 2 years ago
- Fast and accurate molecular docking with an AI pose scoring function☆42Updated last year
- ☆42Updated last year
- FeatureDock is a protein-ligand docking software guided by physicochemical feature-based local environment learning using Transformer☆38Updated last year
- ☆32Updated 2 years ago