A set of tools for manipulating and doing calculations on wwPDB macromolecule structure files
☆180Oct 10, 2019Updated 6 years ago
Alternatives and similar repositories for pdbtools
Users that are interested in pdbtools are comparing it to the libraries listed below
Sorting:
- A dependency-free cross-platform swiss army knife for PDB files.☆449Feb 3, 2026Updated last month
- PDBFixer fixes problems in PDB files☆631Mar 10, 2026Updated last week
- Collected scripts for Pymol☆519Mar 1, 2026Updated 3 weeks ago
- Python macromolecular parsing (with .pdb/.cif/.mmtf parsing and production)☆106Dec 7, 2023Updated 2 years ago
- PROPKA predicts the pKa values of ionizable groups in proteins and protein-ligand complexes based in the 3D structure.☆342Updated this week
- C-library for calculating Solvent Accessible Surface Areas☆181Nov 15, 2025Updated 4 months ago
- Fraction of Common Contacts Clustering Algorithm for Protein Structures☆27Aug 12, 2021Updated 4 years ago
- analyse PDB files, run molecular-dynamics & analyse trajectories☆62Feb 26, 2018Updated 8 years ago
- MoleculeKit: Your favorite molecule manipulation kit☆236Mar 11, 2026Updated last week
- scripts and facilities for in-silico mutagenesis with FoldX☆67Mar 9, 2026Updated last week
- DLPacker☆32Aug 26, 2024Updated last year
- The python implementation of the MMTF API, decoder and encoder.☆46Jul 7, 2022Updated 3 years ago
- PDB2PQR - determining titration states, adding missing atoms, and assigning charges/radii to biomolecules.☆167Feb 16, 2026Updated last month
- A Python Package for Protein Dynamics Analysis☆534Mar 9, 2026Updated last week
- A Python API for the RCSB Protein Data Bank (PDB)☆334Mar 12, 2026Updated last week
- Calculation of interatomic interactions in molecular structures☆86Mar 5, 2026Updated 2 weeks ago
- Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Schake,…☆660Oct 30, 2025Updated 4 months ago
- Contact map alignment☆16May 10, 2018Updated 7 years ago
- Repository for publicly available deep learning models developed in Rosetta community☆123Sep 18, 2021Updated 4 years ago
- Parameter/topology editor and molecular simulator☆449Jan 12, 2026Updated 2 months ago
- Biobb (BioExcel building blocks) packages are Python building blocks that create new layer of compatibility and interoperability over pop…☆65Dec 22, 2025Updated 3 months ago
- DeeplyTough: Learning Structural Comparison of Protein Binding Sites☆167Apr 7, 2023Updated 2 years ago
- Contact map alignment☆43Feb 3, 2021Updated 5 years ago
- A collections of scripts for working molecular dynamics simulations☆45Feb 6, 2026Updated last month
- Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design☆677Feb 27, 2026Updated 3 weeks ago
- A collection of *fold* tools☆302Aug 8, 2025Updated 7 months ago
- MaSIF- Molecular surface interaction fingerprints. Geometric deep learning to decipher patterns in molecular surfaces.☆736Jun 19, 2024Updated last year
- A Python API for managing genotype-phenotype map data☆12Aug 18, 2023Updated 2 years ago
- Interaction Fingerprints for protein-ligand complexes and more☆481Mar 12, 2026Updated last week
- A collection of molecular modelling tools for UCSF Chimera☆18Mar 26, 2019Updated 6 years ago
- some tools for working with protein (PDB) files in tensorflow☆11Jul 9, 2019Updated 6 years ago
- DSSPparser is an easy tool to parse dssp file, and can transform PDB format file to dssp format file by xssp,also support the tansfrom be…☆13Sep 20, 2022Updated 3 years ago
- Making Protein Design accessible to all via Google Colab!☆894Mar 10, 2026Updated last week
- Protein common interface databases☆10Apr 13, 2019Updated 6 years ago
- An open set of tools for automating tasks relating to small molecules☆70Oct 27, 2021Updated 4 years ago
- Versatile computational pipeline for processing protein structure data for deep learning applications.☆274Feb 14, 2024Updated 2 years ago
- Working with molecular structures in pandas DataFrames☆752Aug 1, 2024Updated last year
- A simplified implementation of DSSP algorithm for PyTorch and NumPy☆98Jun 9, 2025Updated 9 months ago
- Python package to manage protein structures and their annotations☆45Feb 22, 2024Updated 2 years ago