rcsb / py-rcsb-api
Python interface for RCSB.org API services
☆24Updated last week
Alternatives and similar repositories for py-rcsb-api:
Users that are interested in py-rcsb-api are comparing it to the libraries listed below
- CHAPERONg: An automated pipeline for GROMACS MD simulations and trajectory analyses☆43Updated 3 months ago
- Analysis of alphafold and colabfold results☆27Updated 2 weeks ago
- A set of python tools to deal with PDB chemical components definitions for small molecules, taken from the wwPDB Chemical Component Dicti…☆56Updated last month
- Package for storage and analysis of virtual screenings run with AutoDock-GPU and AutoDock Vina☆47Updated 3 weeks ago
- ☆85Updated 2 months ago
- ☆49Updated last month
- Calculation of interatomic interactions in molecular structures☆91Updated 7 months ago
- Python package for the analysis of natural and modified peptides using a set of modules to study their sequences☆33Updated 2 months ago
- ☆42Updated 7 months ago
- Quick mapping of Uniprot sequences to PDB structures☆29Updated 3 weeks ago
- Ligand-Protein Interaction Mapping☆39Updated 2 weeks ago
- Efficient manipulation of protein structures in Python☆53Updated 5 months ago
- Protein Structure Analysis☆54Updated last month
- Molecular Dynamics for Experimentalists☆55Updated 3 weeks ago
- Scoring function for interprotein interactions in AlphaFold2 and AlphaFold3☆47Updated 2 weeks ago
- A collection of virtual screening benchmarking☆10Updated last year
- Interface to OpenMM for easy setup of molecular dynamic simulations of protein-ligand complexes☆126Updated this week
- Python interface for the RCSB PDB search API.☆63Updated 3 weeks ago
- Data sharing for High-throughput Prediction of Changes in Protein Conformational Distributions with Subsampled AlphaFold2☆39Updated 11 months ago
- Codes and scripts for "An artificial intelligence accelerated virtual screening platform for drug discovery"☆53Updated 4 months ago
- Machine Learning models for in vitro enzyme kinetic parameter prediction☆42Updated 2 weeks ago
- Scores for Hydrophobicity and Charges based on SASAs☆31Updated last month
- EnzyHTP is a python library that automates the complete life-cycle of enzyme modeling☆16Updated 2 weeks 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
- ☆25Updated 8 months ago
- Official repository of GENzyme☆47Updated 4 months ago
- An automatic workflow to perform MM/GB(PB)SA calculations from force field building, and structure optimization to free energy calculatio…☆104Updated 5 months ago
- Improved protein complex prediction with AlphaFold-multimer by denoising the MSA profile☆65Updated 7 months ago
- Notebooks and environment set up for IQB 2024 workshop - Python for Molecular Docking☆57Updated 3 months ago