rcsb / py-rcsb-apiLinks
Python interface for RCSB.org API services
☆54Updated last month
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:
- Python3 translation of AutoDockTools☆130Updated last year
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆97Updated 6 months ago
- PINDER: The Protein INteraction Dataset and Evaluation Resource☆143Updated last year
- ☆232Updated 4 months ago
- Library for computing dynamic non-covalent contact networks in proteins throughout MD Simulation☆134Updated 2 years ago
- An accurate and trainable end-to-end protein-ligand docking framework☆118Updated 9 months ago
- Diffusion model based protein-ligand flexible docking method☆116Updated last year
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆123Updated last year
- A series of scripts that facilitate the prediction of protein structures in multiple conformations using AlphaFold2☆98Updated 2 years ago
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆56Updated last week
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆157Updated 3 weeks ago
- Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3☆176Updated 8 months ago
- MaSIF-neosurf: surface-based protein design for ternary complexes.☆159Updated 3 weeks ago
- ☆63Updated 2 months ago
- Sidechain conditioning and modeling for full-atom protein sequence design☆131Updated last month
- ☆84Updated last month
- Calculation of interatomic interactions in molecular structures☆83Updated 3 years ago
- Official repository for DiffPepBuilder and DiffPepDock tools☆113Updated 2 months ago
- Plugin for folding sequences directly in PyMOL☆112Updated 4 months ago
- Predict multiple protein conformations using sequence clustering and AlphaFold2.☆170Updated 2 months ago
- Python interface for the RCSB PDB search API.☆65Updated 9 months ago
- ☆137Updated 3 years ago
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆30Updated last month
- A bunch of shell utilities for dealing the silent files☆73Updated 3 weeks ago
- ☆89Updated last year
- Calculation of interatomic interactions in molecular structures☆116Updated last year
- ☆114Updated 3 years ago
- HAC-Net: A Hybrid Attention-Based Convolutional Neural Network for Highly Accurate Protein-Ligand Binding Affinity Prediction☆61Updated last year
- Slides + Iframe = sliFrame☆55Updated 8 months ago
- ☆69Updated last year