Analysis of quantum chemical interactions in molecules and solids.
☆118Apr 10, 2026Updated last week
Alternatives and similar repositories for critic2
Users that are interested in critic2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Benchmark data for density-functional theory method development.☆19Nov 26, 2025Updated 4 months ago
- ☆10Sep 26, 2025Updated 6 months ago
- Unfolding the band structure of a supercell obtained with VASP☆25Dec 28, 2022Updated 3 years ago
- A general graph neural network for the prediction of reaction-level properties☆10Dec 12, 2024Updated last year
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Parallel C/Python package for numerical analysis of PAW DFT wavefunctions☆36Nov 2, 2021Updated 4 years ago
- Collective atomic modulation analysis with irreducible space-group representation☆18Apr 7, 2026Updated last week
- A Toolbox for Post-Processing Quantum Chemical Wavefunction Data☆100Jul 24, 2021Updated 4 years ago
- Quick tools for materials chemistry☆19May 29, 2024Updated last year
- Heavyweight plotting tools for ab initio calculations☆245Apr 9, 2026Updated last week
- Thermodynamics of solids in the quasiharmonic approximation.☆39Apr 1, 2026Updated 2 weeks ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years ago
- A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.☆48May 6, 2024Updated last year
- Visualise lattice vibrations☆107Apr 4, 2026Updated 2 weeks ago
- Deploy open-source AI quickly and easily - Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- ☆75Apr 7, 2026Updated last week
- Gaussian and Lorentzian smearing of simulated spectra☆44Oct 8, 2024Updated last year
- Topological Analysis for Molecular Systems☆17Feb 7, 2019Updated 7 years ago
- ☆17Mar 24, 2025Updated last year
- A Python library for electronic structure pre/post-processing☆207Jan 29, 2026Updated 2 months ago
- Automated DFT Input File Generator using wxDragon☆15Sep 21, 2023Updated 2 years ago
- Encoding chemistry to interpret crystallographic data☆28Feb 4, 2026Updated 2 months ago
- Code to analyse thermodynamics of alloys through the generalized quasi-chemical approximation (GQCA)☆15Oct 6, 2019Updated 6 years ago
- A code to generate atomic structure with symmetry☆360Apr 7, 2026Updated last week
- Wordpress hosting with auto-scaling - Free Trial • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Quantum Chemistry Laboratory package☆20Jun 22, 2022Updated 3 years ago
- Python package for calculating thermodynamic potentials from first-principles calculations☆14Dec 22, 2023Updated 2 years ago
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- a python package for computing magnetic interaction parameters☆95Apr 5, 2026Updated 2 weeks ago
- A visualization program for the display, manipulation, and analysis of isolated molecules and periodic structures☆47Jun 26, 2025Updated 9 months ago
- Statistical Mechanics on Lattices☆94Updated this week
- calculate chemical bond strength in solids, surfaces and molecules☆24Sep 6, 2025Updated 7 months ago
- Computational chemistry with free and open source software☆19Feb 2, 2022Updated 4 years ago
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆244Apr 3, 2026Updated 2 weeks ago
- Virtual machines for every use case on DigitalOcean • AdGet dependable uptime with 99.99% SLA, simple security tools, and predictable monthly pricing with DigitalOcean's virtual machines, called Droplets.
- Dealing with slabs for first principles calculations of surfaces☆67Sep 17, 2023Updated 2 years ago
- A Python library to calculate elastic properties of materials.☆60Jul 23, 2025Updated 8 months ago
- Modeling and Crystallographic Utilities☆53May 23, 2023Updated 2 years ago
- Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density☆40Aug 12, 2024Updated last year
- A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.☆22Oct 15, 2024Updated last year
- An algorithm to match crystal structures atom-to-atom☆53Feb 27, 2023Updated 3 years ago
- Band unfolding for phonons☆62Oct 23, 2024Updated last year