blokhin / cif-js-engines
Browser plugin-free CIF visualization: comparison of the open-source engines
☆22Updated 4 years ago
Related projects ⓘ
Alternatives and complementary repositories for cif-js-engines
- Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats☆21Updated last month
- ☆18Updated last month
- Specification of a common REST API for access to materials databases☆83Updated this week
- Crystal structure container and parsers for structure formats.☆34Updated this week
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆25Updated 2 months ago
- Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)☆19Updated 5 months ago
- Implements core functions for AiiDAlab.☆15Updated last month
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆19Updated last week
- MongoDB aggregation machine☆38Updated this week
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Updated 11 months ago
- Set of scripts for working with Topas☆14Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆49Updated last week
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆15Updated 2 weeks ago
- ☆19Updated this week
- MDAnalysis wrapper around Packmol☆27Updated last year
- Suite of programs to perform non-linear dimensionality reduction -- sketch-map in particular☆46Updated last month
- Tools related to X-ray absorption spectroscopy (XAS)☆17Updated 4 months ago
- A PyMOL plugin for visualizing vibrations in molecules and solids☆39Updated last month
- This small repository provides functionality for calculating the charge transfer integrals between two molecules.☆29Updated last year
- The Element Movers Distance for chemical composition similarity☆31Updated 2 weeks ago
- A Python code to quickly derive ab initio parameterized force fields.☆38Updated last year
- A one-stop-shop for handling data in computational spectroscopy☆14Updated this week
- A python-based crystal viewer built upon the fresnel and pymatgen libraries.☆15Updated 5 months ago
- Python code for learning Molecular Dynamics simulations☆53Updated 3 years ago
- DiffPy-CMI tutorial files for the ADD2019 workshop, ILL, Grenoble☆11Updated 5 years ago
- ☆20Updated 4 months ago
- LAMMPS plugin for AiiDA☆25Updated last week
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆27Updated 7 months ago
- A module for ASE for elastic constants calculation.☆35Updated 2 months ago
- A simple python package for drawing attractive chemical reaction energy level diagrams☆28Updated 4 years ago