The IUCr CIF core dictionary
☆22Updated this week
Alternatives and similar repositories for cif_core
Users that are interested in cif_core are comparing it to the libraries listed below
Sorting:
- Software to calculate atomic scattering factors and properties for Quantum Crystallography☆13Updated this week
- mmCIF-based extension dictionary for computed structure models☆24Feb 5, 2026Updated 3 weeks ago
- wwPDB PDBx/mmCIF Dictionary☆10Jan 28, 2026Updated last month
- This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…☆13Feb 20, 2026Updated last week
- BinaryCIF is a data format for storing text based CIF files using a more efficient binary encoding.☆30Oct 14, 2024Updated last year
- A Python package for LAMMPS analysis tools☆14Mar 27, 2025Updated 11 months ago
- A parser and editor for SHELXL files.☆14Nov 7, 2025Updated 3 months ago
- ☆19Updated this week
- Descriptors (isometry invariants) of crystals based on geometry.☆37Nov 17, 2025Updated 3 months ago
- Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.☆15Dec 19, 2025Updated 2 months ago
- RCSB PDB apps and props based on Mol*☆40Updated this week
- The specification of the MMTF format for biological structures☆44Jan 19, 2024Updated 2 years ago
- A tool for generating unique ordered structures corresponding to a given disordered structure.☆17Dec 28, 2023Updated 2 years ago
- Spherical harmonic shape descriptors, promolecule densities, isosurfaces and Hirshfeld surfaces in python☆26Oct 15, 2025Updated 4 months ago
- A tool for calculating distortion parameters in coordination complexes.☆19Jan 23, 2026Updated last month
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 3 years ago
- CryoET Data Portal☆27Feb 19, 2026Updated last week
- A library to align rigid molecules and clusters☆12Feb 18, 2026Updated last week
- Nucleic and amino acid primitive types☆34Apr 25, 2025Updated 10 months ago
- ☆10Mar 10, 2022Updated 3 years ago
- Definitions of the NeXus Standard File Structure and Contents☆31Feb 19, 2026Updated last week
- Package for parsing XBRL☆10Jul 3, 2022Updated 3 years ago
- Material used during the Scientific Computing Group's C/C++ course in the Dept. of Computer Science, Durham University, September 11-22 2…☆10Jun 26, 2024Updated last year
- Derivative structure enumeration library☆81Nov 16, 2024Updated last year
- Molecular Query Language☆35Jun 24, 2024Updated last year
- Building blocks for scientific data pipelines☆43Updated this week
- Graph neural network for predicting energy of known and hypothetical crystal structures☆10Jan 26, 2022Updated 4 years ago
- An offline corepresentation database and tool set for 1651 magnetic space groups.☆14Mar 23, 2023Updated 2 years ago
- The Master Object Model (MOM) is an xAPI profile that denotes how a student's learning can be tracked throught their entire "lifetime" wi…☆12Jul 3, 2025Updated 7 months ago
- Computational Tools for Heat Exchanger Network Synthesis☆11Updated this week
- ☆11Nov 10, 2025Updated 3 months ago
- A high-performance library for gradient based quantum optimal control☆12Jun 23, 2023Updated 2 years ago
- Issues and milestones for the DataCite organization☆48Aug 30, 2024Updated last year
- Specification of a common REST API for access to materials databases☆103Feb 6, 2026Updated 3 weeks ago
- Computational Crystallography Toolbox☆279Updated this week
- MicroShell is a lightweight pure C implementation of shell emulator dedicated for embedded bare-metal systems.☆13Oct 25, 2024Updated last year
- ☆19Apr 7, 2025Updated 10 months ago
- This repository provides a collection of batch scripts to repair, maintain, optimize and update Windows systems.☆17Oct 27, 2025Updated 4 months ago
- ☆11Feb 25, 2025Updated last year