Free Objects for Crystallography : Fox / ObjCryst++
☆25Feb 3, 2026Updated last month
Alternatives and similar repositories for objcryst
Users that are interested in objcryst are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Feb 6, 2026Updated last month
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆12Mar 25, 2019Updated 6 years ago
- Accelerated molecular crystal structure determination from powder diffraction data☆13Jun 20, 2025Updated 9 months ago
- Tools for exploring reciprocal space☆35Mar 16, 2026Updated last week
- Jupyter Book source files for 2022 MSD summer research internship.☆13Jul 10, 2023Updated 2 years ago
- Automatically exported from code.google.com/p/semanticchemistry☆10Mar 7, 2021Updated 5 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- Suite of programs to simulate disordered and nanomaterials☆62Mar 12, 2026Updated last week
- Python based GUI-Program for integration and exploration of 2D x-ray diffraction images.☆66Mar 17, 2026Updated last week
- A vectorised implementation of the Debye Scattering Equation on CPU and GPU☆36Dec 19, 2024Updated last year
- Yell is a program for diffuse scattering interpretation using the 3D-∆PDF refinement.☆13Mar 6, 2026Updated 2 weeks ago
- Web client code for the MongoChem project☆10Mar 3, 2021Updated 5 years ago
- ☆20Nov 19, 2025Updated 4 months ago
- Structure refinement software for total scattering data☆13Updated this week
- Python Cp2k interface☆100Jun 7, 2022Updated 3 years ago
- Collection of tools for automated processing and clustering of electron diffraction data☆13May 22, 2025Updated 10 months ago
- ☆11Aug 29, 2022Updated 3 years ago
- Analysis and Visualisation of Hydrogen/Deuterium Exchange Mass Spectrometry Data☆11Sep 3, 2025Updated 6 months ago
- Scripts for building binary release bundle for Linux and Mac.☆11Feb 12, 2024Updated 2 years ago
- LimeSoup is a package to parse HTML or XML papers from different publishers.☆20Jan 4, 2021Updated 5 years ago
- Multi-nucleotide Variation Annotation Corrector☆11Dec 13, 2022Updated 3 years ago
- Computational Crystallography Toolbox☆281Updated this week
- Code and other materials for the S2I2 Software Summer School☆12Mar 11, 2017Updated 9 years ago
- Crystal structure container and parsers for structure formats.☆35Mar 16, 2026Updated last week
- Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm☆50Nov 4, 2025Updated 4 months ago
- Python program for automated electron diffraction data collection☆60Mar 9, 2026Updated 2 weeks ago
- Course materials for NANO 106 - Crystallography of Materials☆36Feb 19, 2026Updated last month
- ☆14May 9, 2018Updated 7 years ago
- High-Throughput Computational Physics Framework☆13Oct 25, 2017Updated 8 years ago
- library for reading files with x-y data from powder diffraction, spectroscopy, or other experimental methods☆69Dec 20, 2022Updated 3 years ago
- ☆13Oct 5, 2019Updated 6 years ago
- A web based application predicts water solubility of any given chemical compound known or unknown☆14Jul 4, 2021Updated 4 years ago
- Explore a state machine mechanism/notation for Simpy☆12May 24, 2022Updated 3 years ago
- atomate is a powerful software for computational materials science and contains pre-built workflows.☆260Jul 18, 2024Updated last year
- Repository for the code associated with the paper Impact of applicability domains by Maxime Langevin et al.☆13Feb 19, 2025Updated last year
- MIFit is a cross-platform interactive graphics application for molecular modeling, fitting, and refinement of protein structures from x-r…☆11Jun 12, 2017Updated 8 years ago
- Public code base for the Accelerated Molecular Discovery (AMD) platform☆11Nov 17, 2023Updated 2 years ago
- The present study is finalised to determine the most advanced models in the literature capable of producing new high-quality molecules st…☆10Aug 31, 2021Updated 4 years ago
- Debye's scattering equation & other analysis of atomistic models.☆59Jan 8, 2026Updated 2 months ago