Tools for exploring reciprocal space
☆35Feb 23, 2026Updated last week
Alternatives and similar repositories for reciprocalspaceship
Users that are interested in reciprocalspaceship are comparing it to the libraries listed below
Sorting:
- Merge X-ray diffraction data with Wilson's priors, variational inference, and metadata☆20Oct 2, 2025Updated 5 months ago
- Diffraction Integration for Advanced Light Sources☆98Updated this week
- macromolecular crystallography library and utilities☆323Updated this week
- Free Objects for Crystallography : Fox / ObjCryst++☆25Feb 3, 2026Updated last month
- ☆10Mar 10, 2022Updated 3 years ago
- A CIF file finalizer for small molecule crystallography with as much automation as possible.☆21Jan 18, 2026Updated last month
- Macromolecular viewer for crystallographers (WebGL)☆40Aug 8, 2025Updated 6 months ago
- PROGRESS: Parallel, Rapid O(N) and Graph-based Recursive Electronic Structure Solver.☆27Updated this week
- Curatable database for experimental and theoretical data on solid materials.☆13Sep 21, 2025Updated 5 months ago
- Molar is a database management to make it easy to store experiment whether computational or not☆11Jul 15, 2022Updated 3 years ago
- A parser and editor for SHELXL files.☆14Nov 7, 2025Updated 3 months ago
- Shaded 😎 quantile plots☆12Apr 14, 2022Updated 3 years ago
- e3nn tutorial for Materials Research Society Fall Meeting 2021☆14Nov 29, 2021Updated 4 years ago
- This repository contains reference data from the Richardson Lab at Duke.☆15Jul 26, 2023Updated 2 years ago
- ☆14May 9, 2018Updated 7 years ago
- A crystal structure finder written in PyQt5 and Python3☆15Jan 18, 2026Updated last month
- my crystallographic toolbox☆18Sep 14, 2025Updated 5 months ago
- Neural network architecture that is fully equivariant with respect to transformations under the Lorentz group, a fundamental symmetry of …☆51Mar 10, 2022Updated 3 years ago
- Text mining synthesis information in metal organic framework☆13Aug 25, 2021Updated 4 years ago
- XRay Estimation and Refinement Using Similarity (XERUS)☆37Sep 26, 2025Updated 5 months ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Feb 6, 2026Updated 3 weeks ago
- Computational Crystallography Toolbox☆279Updated this week
- Geometric super-resolution for molecular geometries☆42Jun 15, 2022Updated 3 years ago
- (inactive) A web application client for chemical data analysis and visualization.☆17Jun 22, 2022Updated 3 years ago
- SgInfo - Space Group Info☆18Feb 13, 2022Updated 4 years ago
- dictionary of monomers and links☆19Feb 11, 2026Updated 2 weeks ago
- A JavaScript molecular graphics program☆22Updated this week
- A modular electronic structure theory code☆21Aug 11, 2018Updated 7 years ago
- Quantum to Molecular Mechanics (Q2MM)☆22Mar 12, 2023Updated 2 years ago
- Draft for my book about implementing density functional theory☆20Apr 2, 2025Updated 11 months ago
- A tool for calculating the general form of a k.p Hamiltonian with a given symmetry.☆23May 8, 2023Updated 2 years ago
- Common NLP (text mining) tools for materials science and chemistry, for groups at Lawrence Berkeley National Lab (LBNL) and beyond.☆22Jul 8, 2022Updated 3 years ago
- ☆20Oct 18, 2022Updated 3 years ago
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 3 years ago
- kMap.py is a python based program for simulation and data analysis in photoemission tomography.☆23Aug 29, 2025Updated 6 months ago
- A tool for calculating distortion parameters in coordination complexes.☆19Jan 23, 2026Updated last month
- MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms☆20Mar 13, 2023Updated 2 years ago
- ☆21Jan 25, 2023Updated 3 years ago
- MatDeepLearn for DOS prediction☆26Aug 11, 2022Updated 3 years ago