Computational Crystallography Toolbox
☆279Mar 2, 2026Updated this week
Alternatives and similar repositories for cctbx_project
Users that are interested in cctbx_project are comparing it to the libraries listed below
Sorting:
- Diffraction Integration for Advanced Light Sources☆98Updated this week
- macromolecular crystallography library and utilities☆323Updated this week
- SgInfo - Space Group Info☆18Feb 13, 2022Updated 4 years ago
- ☆19Updated this week
- qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.☆47Feb 16, 2026Updated 2 weeks ago
- C library for finding and handling crystal symmetries☆357Dec 28, 2025Updated 2 months ago
- Software to calculate atomic scattering factors and properties for Quantum Crystallography☆13Feb 24, 2026Updated last week
- Tools for exploring reciprocal space☆35Feb 23, 2026Updated last week
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆14Nov 18, 2024Updated last year
- A C API and reference implementation for CIF 2.0 (and earlier)☆15Jul 5, 2021Updated 4 years ago
- Fast Azimuthal Integration in Python☆127Updated this week
- Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm☆50Nov 4, 2025Updated 3 months ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆46Jun 26, 2025Updated 8 months ago
- A code to generate atomic structure with symmetry☆360Feb 20, 2026Updated last week
- Reduce - tool for adding and correcting hydrogens in PDB files☆168Jan 5, 2026Updated last month
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Feb 6, 2026Updated 3 weeks ago
- PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar…☆67Mar 7, 2020Updated 5 years ago
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Development version of plumed 2☆483Feb 23, 2026Updated last week
- Converts HDF5 files from EIGER detectors to miniCBF format☆10Dec 14, 2018Updated 7 years ago
- Molar is a database management to make it easy to store experiment whether computational or not☆11Jul 15, 2022Updated 3 years ago
- ☆21Jun 2, 2024Updated last year
- Free Objects for Crystallography : Fox / ObjCryst++☆25Feb 3, 2026Updated last month
- Macromolecular viewer for crystallographers (WebGL)☆40Aug 8, 2025Updated 6 months ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- Pymol ScrIpt COllection (PSICO)☆65Updated this week
- Data analysis tools for X-Ray, Neutron and Electron sciences☆96Aug 27, 2025Updated 6 months ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 9 years ago
- Crystal structure container and parsers for structure formats.☆35Updated this week
- PDBFixer fixes problems in PDB files☆626Oct 30, 2025Updated 4 months ago
- DFTB+ general package for performing fast atomistic simulations☆413Feb 5, 2026Updated 3 weeks ago
- my crystallographic toolbox☆18Sep 14, 2025Updated 5 months ago
- Soprano - a Python library to crack crystals!☆12Updated this week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated last year
- A crystal structure finder written in PyQt5 and Python3☆15Jan 18, 2026Updated last month
- More efficient and faster version of pyscal☆28Jan 27, 2026Updated last month
- A python utilities to handle with atomic structures and interfacing with common formats (xyz and quantum-espresso).☆24Nov 21, 2025Updated 3 months ago
- The IUCr CIF core dictionary☆22Updated this week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆70Mar 15, 2024Updated last year