mirabdi / PDAnalysisLinks
☆32Updated last year
Alternatives and similar repositories for PDAnalysis
Users that are interested in PDAnalysis are comparing it to the libraries listed below
Sorting:
- Modelling of Large Protein Complexes☆37Updated 2 months ago
- ☆45Updated 5 months ago
- Structure prediction and design of proteins with noncanonical amino acids☆100Updated last week
- ☆70Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆37Updated 3 months ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆54Updated 4 months ago
- mdml: Deep Learning for Molecular Simulations☆47Updated 4 months ago
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆58Updated last month
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆97Updated 2 years ago
- Structure prediction of alternative protein conformations☆79Updated 7 months ago
- Automatic Retrieval and ClusTering of Interfaces in Complexes from 3D structural information☆32Updated this week
- Updated Protpardelle models with more robust motif scaffolding and multichain support☆38Updated this week
- Modelling protein conformational landscape with Alphafold☆53Updated last month
- Some scripts that I keep using over and over.☆20Updated 3 months ago
- ☆72Updated this week
- Differentiable Pairing using Alignment-based Language Models☆24Updated last year
- Graph Attention Site Prediction (GrASP): Identifying Druggable Binding Sites Using Graph Neural Networks with Attention☆54Updated 3 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆35Updated 2 months ago
- KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.☆31Updated 3 weeks ago
- Efficient manipulation of protein structures in Python☆58Updated last week
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆69Updated last year
- protein structure generation with sparse all-atom denoising models☆40Updated 2 weeks ago
- ☆16Updated last year
- ☆41Updated last year
- ☆36Updated last year
- Building more accurate protein structures from backbone torsion angles☆14Updated 6 months ago
- A Unified Approach to Protein Engineering☆42Updated last year
- Extension of ThermoMPNN for double mutant predictions☆43Updated 2 months ago
- Kuhlman Lab Installation of AlphaFold3☆34Updated last week
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆93Updated 4 months ago