Boehringer-Ingelheim / pyPept
pyPept: a python library to generate atomistic 2D and 3D representations of peptides
☆68Updated 7 months ago
Alternatives and similar repositories for pyPept:
Users that are interested in pyPept are comparing it to the libraries listed below
- ☆85Updated last month
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Calculation of interatomic interactions in molecular structures☆90Updated 6 months ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆47Updated 2 weeks ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆32Updated 11 months ago
- Fast and accurate molecular docking with an AI pose scoring function☆37Updated last year
- Bioinformatics and Cheminformatics protocols for peptide analysis☆41Updated 2 years ago
- FreeSASA Python Module☆52Updated last year
- ☆69Updated 8 months ago
- A Motif Hash Based Method for Matching Crosslinkers into Peptides and Proteins☆18Updated last year
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated last week
- PyDock Tutorial☆30Updated 6 years ago
- Fully automated high-throughput MD pipeline☆57Updated last week
- DiffDock implementation that adds support for HPC execution using Slurm and Singularity☆25Updated 5 months ago
- ☆34Updated 11 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆16Updated this week
- Python interface for the RCSB PDB search API.☆62Updated last week
- ☆43Updated 6 months ago
- ☆31Updated last year
- Boltzmann-ranked alternative protein conformations from reduced-MSA AlphaFold2☆45Updated last week
- ☆49Updated last week
- AutoDock CrankPep for peptide and disordered protein docking☆48Updated 3 years ago
- ☆74Updated 3 weeks ago
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆54Updated last month
- Modelling protein conformational landscape with Alphafold☆45Updated 2 weeks ago
- Novel estimator for the change in stability upon point mutation in monomeric and multimeric proteins.☆44Updated 3 months ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆65Updated 6 months ago
- Efficient manipulation of protein structures in Python☆52Updated 4 months ago
- ☆38Updated last year
- Binding pocket optimization based on force fields and docking scoring functions☆31Updated 2 weeks ago