rcsb / py-rcsbsearchapi
Python interface for the RCSB PDB search API.
☆63Updated last month
Alternatives and similar repositories for py-rcsbsearchapi
Users that are interested in py-rcsbsearchapi are comparing it to the libraries listed below
Sorting:
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆83Updated 2 months ago
- Create or modify Rosetta params files (topology files) from scratch, RDKit mols or another params file☆32Updated last year
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆66Updated 8 months ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated 11 months ago
- PyDock Tutorial☆31Updated 6 years ago
- An open-source library for the analysis of protein interactions.☆29Updated 3 years ago
- Bioinformatics and Cheminformatics protocols for peptide analysis☆41Updated 2 years ago
- Automatic gromacs protocol from preparation to production with ligand parametrization through☆68Updated last month
- Ligand-Protein Interaction Mapping☆50Updated last week
- Modelling of Large Protein Complexes☆37Updated last year
- Efficient manipulation of protein structures in Python☆53Updated 6 months ago
- Machine Learning models for in vitro enzyme kinetic parameter prediction☆43Updated last month
- Calculation of interatomic interactions in molecular structures☆93Updated 8 months ago
- ☆68Updated 10 months ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆21Updated this week
- Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3☆50Updated last month
- Structure-based self-supervised learning enables ultrafast prediction of stability changes upon mutations☆56Updated 3 months ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆95Updated last year
- AutoDock CrankPep for peptide and disordered protein docking☆50Updated 4 years ago
- Simple protein-ligand complex simulation with OpenMM☆84Updated last year
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆57Updated 2 months ago
- Protein Structure Analysis☆55Updated last month
- ☆82Updated 7 months ago
- Deep learning framework for protein sequence design from a backbone scaffold that can leverage the molecular context including non-protei…☆42Updated 5 months ago
- Physics-Guided All-Atom Diffusion Model for Accurate Protein-Ligand Complex Prediction☆38Updated 3 weeks ago
- ☆89Updated 2 months ago
- pyPept: a python library to generate atomistic 2D and 3D representations of peptides☆70Updated 8 months ago
- ☆43Updated 7 months ago
- Fully automated high-throughput MD pipeline☆60Updated last week
- Analysis of contacts in molecular dynamics trajectories☆42Updated 5 years ago