rcsb / py-rcsb-apiLinks
Python interface for RCSB.org API services
☆37Updated 2 weeks ago
Alternatives and similar repositories for py-rcsb-api
Users that are interested in py-rcsb-api are comparing it to the libraries listed below
Sorting:
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆90Updated 2 months ago
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆96Updated last year
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆27Updated this week
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆112Updated 9 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆131Updated 8 months ago
- Python interface for the RCSB PDB search API.☆64Updated 4 months ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆124Updated 2 years ago
- ☆186Updated 2 weeks ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆50Updated last month
- Calculation of interatomic interactions in molecular structures☆104Updated 11 months ago
- Python3 translation of AutoDockTools☆123Updated last year
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆143Updated last month
- ☆68Updated last year
- Software for biomolecular electrostatics and solvation calculations☆106Updated 11 months ago
- Protein and nucleic acid validation service☆83Updated last year
- PENSA - a collection of python methods for exploratory analysis and comparison of biomolecular conformational ensembles.☆141Updated 5 months ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆61Updated 5 months ago
- An accurate and trainable end-to-end protein-ligand docking framework☆101Updated 4 months ago
- Calculation of interatomic interactions in molecular structures☆77Updated 3 years ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆94Updated last week
- Sidechain conditioning and modeling for full-atom protein sequence design☆115Updated last month
- Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3☆68Updated 4 months ago
- Python package to run molecular dynamics simulation of a protein-ligand complex in a single line of code.☆161Updated 3 weeks ago
- PLACER is graph neural network for local prediction of protein-ligand conformational ensembles.☆146Updated 5 months ago
- Scripts to run AlphaFold3, Boltz-1 and Chai-1 with MMseqs2 MSAs and custom templates.☆85Updated last week
- ☆110Updated 2 years ago
- ☆124Updated 6 years ago
- A compilation of deep learning methods for protein design☆97Updated 2 years ago
- ☆69Updated last month
- Diffusion model based protein-ligand flexible docking method☆108Updated 9 months ago