williamgilpin / pypdbLinks
A Python API for the RCSB Protein Data Bank (PDB)
☆330Updated 3 months ago
Alternatives and similar repositories for pypdb
Users that are interested in pypdb are comparing it to the libraries listed below
Sorting:
- A dependency-free cross-platform swiss army knife for PDB files.☆427Updated last month
- A Python Package for Protein Dynamics Analysis☆497Updated 3 weeks ago
- A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files☆178Updated 5 years ago
- Cloud-based molecular simulations for everyone☆443Updated last week
- PDBFixer fixes problems in PDB files☆573Updated 6 months ago
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆383Updated last year
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆344Updated last month
- Application to assign secondary structure to proteins☆212Updated 2 weeks ago
- Collected scripts for Pymol☆490Updated last month
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆316Updated last year
- Protein-protein, protein-peptide and protein-DNA docking framework based on the GSO algorithm☆354Updated 2 months ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆580Updated 2 months ago
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆271Updated last year
- Google Colab Tutorials for IBM3202☆266Updated 10 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆441Updated 3 weeks ago
- Evolutionary couplings from protein and RNA sequence alignments☆276Updated 2 weeks ago
- Official Python client for accessing ChEMBL API☆415Updated 7 months ago
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆320Updated last month
- HTMD: Programming Environment for Molecular Discovery☆268Updated 2 months ago
- gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.☆271Updated 2 months ago
- C-library for calculating Solvent Accessible Surface Areas☆154Updated 2 months ago
- Antibody Numbering and Antigen Receptor ClassIfication☆235Updated last year
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆306Updated last year
- Official repo of the modular BioExcel version of HADDOCK☆187Updated last week
- Interface for AutoDock, molecule parameterization☆276Updated this week
- BioPhi is an open-source antibody design platform. It features methods for automated antibody humanization (Sapiens), humanness evaluatio…☆201Updated 4 months ago
- A collection of *fold* tools☆298Updated last month
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆318Updated 10 months ago
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆607Updated last year
- trRosetta for protein design☆182Updated 4 years ago