williamgilpin / pypdbLinks
A Python API for the RCSB Protein Data Bank (PDB)
☆332Updated 6 months ago
Alternatives and similar repositories for pypdb
Users that are interested in pypdb are comparing it to the libraries listed below
Sorting:
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆180Updated 6 years ago
- Cloud-based molecular simulations for everyone☆460Updated last month
- A dependency-free cross-platform swiss army knife for PDB files.☆435Updated 2 months ago
- PDBFixer fixes problems in PDB files☆608Updated last month
- A Python Package for Protein Dynamics Analysis☆517Updated 2 weeks ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆370Updated this week
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆425Updated last year
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆326Updated last year
- Application to assign secondary structure to proteins☆229Updated 2 weeks ago
- Collected scripts for Pymol☆504Updated 4 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆273Updated 2 years ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆347Updated last month
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆287Updated last week
- Google Colab Tutorials for IBM3202☆272Updated last year
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆620Updated last month
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆367Updated 3 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆456Updated 2 weeks ago
- C-library for calculating Solvent Accessible Surface Areas☆169Updated last month
- Evolutionary couplings from protein and RNA sequence alignments☆291Updated last month
- Official repo of the modular BioExcel version of HADDOCK☆214Updated last week
- Official Python client for accessing ChEMBL API☆429Updated 10 months ago
- HTMD: Programming Environment for Molecular Discovery☆268Updated 2 weeks ago
- Let LLM run your MDs.☆238Updated 3 months ago
- Interface for AutoDock, molecule parameterization☆317Updated this week
- MoleculeKit: Your favorite molecule manipulation kit☆230Updated this week
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆315Updated 2 months ago
- Protein hallucination and inpainting with RoseTTAFold☆275Updated 2 years ago
- A collection of *fold* tools☆300Updated 4 months ago
- Antibody Numbering and Antigen Receptor ClassIfication☆252Updated last year
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆639Updated last year