tilde-lab / cifplayerLinks
Minimalistic and fast HTML5 visualization of chemical structures in CIF, POSCAR, and OPTIMADE formats
☆28Updated 2 weeks ago
Alternatives and similar repositories for cifplayer
Users that are interested in cifplayer are comparing it to the libraries listed below
Sorting:
- Browser plugin-free CIF visualization: comparison of the open-source engines☆22Updated 4 years ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated 7 months ago
- Building blocks for scientific data pipelines☆39Updated last week
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆27Updated last week
- Curated list of known efforts in collecting and/or curating of chemical/materials data☆21Updated 4 years ago
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆32Updated last year
- Turbomoleio is a python package containing a set of tools for the generation of inputs and parsing of outputs for the TURBOMOLE quantum c…☆20Updated 4 months ago
- 3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.☆16Updated 5 years ago
- Tools related to X-ray absorption spectroscopy (XAS)☆19Updated 11 months ago
- A JupyterLab launcher extension to view the molecular orbitals.☆18Updated 8 months ago
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆22Updated last year
- Tools for handling CIF files, and CIF parsers used for the Crystallography Open Database (COD)☆21Updated 3 weeks ago
- ☆17Updated 7 years ago
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆32Updated 2 years ago
- Python module for VPT2 calculations using Psi4 and QCEngine.☆13Updated this week
- ☆20Updated 3 weeks ago
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆31Updated 7 months ago
- A package to process electrochemical results from atomistic simulations.☆11Updated this week
- Implements core functions for AiiDAlab.☆16Updated this week
- Automated workflow for generating quantum chemistry calculation of explicitly solvated molecules☆52Updated 3 weeks ago
- Depiction of Potential Energy Surfaces☆12Updated 7 months ago
- ☆26Updated last week
- AutoTST: A framework to perform automated transition state theory calculations☆38Updated 9 months ago
- Jupyter Book source files for 2022 MSD summer research internship.☆13Updated last year
- Yaff is yet another force-field code☆35Updated 2 years ago
- LAMMPS plugin for AiiDA☆25Updated this week
- A tool for calculating distortion parameters in coordination complexes.☆16Updated last month
- An ecosystem for digital reticular chemistry☆48Updated 8 months ago
- A fully featured ASE calculator for xTB☆18Updated 7 months ago
- A collection of tools designed for the automatic construction, and subsequent analysis, of chemical compounds.☆19Updated last year