Computational Crystallography Toolbox
☆288Jun 9, 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. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Diffraction Integration for Advanced Light Sources☆103Updated this week
- macromolecular crystallography library and utilities☆354Jun 1, 2026Updated last week
- SgInfo - Space Group Info☆18Feb 13, 2022Updated 4 years ago
- ☆21Updated this week
- Software to calculate atomic scattering factors and properties for Quantum Crystallography☆13Updated this week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Macromolecular viewer for crystallographers (WebGL)☆42Apr 5, 2026Updated 2 months ago
- C library for finding and handling crystal symmetries☆365Dec 28, 2025Updated 5 months ago
- A C API and reference implementation for CIF 2.0 (and earlier)☆15Jul 5, 2021Updated 4 years ago
- Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…☆15Nov 18, 2024Updated last year
- qFit: Automated and unbiased multi-conformer models from X-ray and EM maps.☆52Apr 20, 2026Updated last month
- Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm☆51Nov 4, 2025Updated 7 months ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆18Apr 6, 2026Updated 2 months ago
- A code to generate atomic structure with symmetry☆376Updated this week
- Reduce - tool for adding and correcting hydrogens in PDB files☆176Jan 5, 2026Updated 5 months ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- my crystallographic toolbox☆18Sep 14, 2025Updated 8 months ago
- The IUCr CIF core dictionary☆23May 18, 2026Updated 3 weeks ago
- Crystal structure container and parsers for structure formats.☆40Apr 4, 2026Updated 2 months ago
- Free Objects for Crystallography : Fox / ObjCryst++☆25Feb 3, 2026Updated 4 months ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆47Jun 26, 2025Updated 11 months ago
- Fast Azimuthal Integration in Python☆134Jun 5, 2026Updated last week
- Converts HDF5 files from EIGER detectors to miniCBF format☆10Dec 14, 2018Updated 7 years ago
- ☆10Mar 10, 2022Updated 4 years ago
- PyXRD is a python implementation of the matrix algorithm for computer modeling of X-ray diffraction (XRD) patterns of disordered lamellar…☆66Mar 7, 2020Updated 6 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Felix: Bloch wave method diffraction pattern simulation software☆18Feb 18, 2025Updated last year
- An expert system for automated reduction of X-ray diffraction data from macromolecular crystals☆23May 27, 2026Updated 2 weeks ago
- ☆23Jun 2, 2024Updated 2 years ago
- Calculates the pair distribution function (PDF) of a POSCAR file.☆12Mar 7, 2016Updated 10 years ago
- xrayutilities - a package with useful scripts for X-ray diffraction physicists☆97May 28, 2026Updated 2 weeks ago
- A Python implementation of the MRC2014 file format☆87Mar 2, 2026Updated 3 months ago
- Python library that enables scripting access to CryoSPARC, a cryo-EM software package.☆47Updated this week
- Data analysis tools for X-Ray, Neutron and Electron sciences☆98Aug 27, 2025Updated 9 months ago
- Tools for exploring reciprocal space☆38May 27, 2026Updated 2 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Random symmetric initialization of crystals☆25Jan 6, 2018Updated 8 years ago
- Development version of plumed 2☆500Updated this week
- Python program for automated electron diffraction data collection☆62Jun 3, 2026Updated last week
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆262Jul 18, 2024Updated last year
- Software for analysis of time-resolved and transient absorption data from pump-probe experiments (1D) and 2D-IR☆16May 3, 2026Updated last month
- areaDetector driver for the Dectris Eiger detector☆10Updated this week
- PDBFixer fixes problems in PDB files☆655Mar 10, 2026Updated 3 months ago