williamgilpin / pypdbLinks
A Python API for the RCSB Protein Data Bank (PDB)
☆326Updated 3 weeks 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☆177Updated 5 years ago
- PDBFixer fixes problems in PDB files☆548Updated 3 months ago
- A dependency-free cross-platform swiss army knife for PDB files.☆417Updated 9 months ago
- P2Rank: Protein-ligand binding site prediction from protein structure based on machine learning.☆329Updated this week
- Collected scripts for Pymol☆484Updated this week
- Cloud-based molecular simulations for everyone☆437Updated last week
- fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scien…☆357Updated 9 months ago
- Interaction Fingerprints for protein-ligand complexes and more☆421Updated this week
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme …☆548Updated last month
- Application to assign secondary structure to proteins☆201Updated 2 weeks ago
- NeuralPLexer: State-specific protein-ligand complex structure prediction with a multi-scale deep generative model☆291Updated last year
- HTMD: Programming Environment for Molecular Discovery☆268Updated this week
- A Python Package for Protein Dynamics Analysis☆478Updated last month
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆301Updated last year
- Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting f…☆268Updated last year
- C-library for calculating Solvent Accessible Surface Areas☆142Updated last year
- DockQ is a single continuous quality measure for Protein, Nucleic Acids and Small Molecule Docking Models☆287Updated 5 months ago
- ChatMol☆230Updated 3 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.☆264Updated 3 weeks ago
- Interface for AutoDock, molecule parameterization☆257Updated 3 weeks ago
- Public RFDiffusionAA repo☆403Updated 11 months ago
- Antibody Numbering and Antigen Receptor ClassIfication☆216Updated last year
- Protein hallucination and inpainting with RoseTTAFold☆260Updated 2 years ago
- Joint sequence and structure generation with RoseTTAFold sequence space diffusion☆311Updated 7 months ago
- Evolutionary couplings from protein and RNA sequence alignments☆271Updated 3 months ago
- Deep learning models and structure realization scripts for the DeepAb antibody structure prediction method.☆159Updated 2 years ago
- MoleculeKit: Your favorite molecule manipulation kit