osscar-org / jupyterlab-mol-visualizerLinks
A JupyterLab launcher extension to view the molecular orbitals.
☆19Updated last year
Alternatives and similar repositories for jupyterlab-mol-visualizer
Users that are interested in jupyterlab-mol-visualizer are comparing it to the libraries listed below
Sorting:
- A Jupyter widget to plot bandstructure and density of states.☆16Updated last year
- AiiDA plugin of the high-performance density functional theory code JuKKR (www.judft.de) for high-throughput electronic structure calcula…☆14Updated 2 weeks ago
- A widget to visualize and edit atomic structures in Jupyter Notebook☆37Updated 6 months ago
- Implements core functions for AiiDAlab.☆16Updated 2 weeks ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆47Updated this week
- Phonon for AiiDA☆20Updated this week
- A package for plotting and manipulating 1D spectra☆11Updated last year
- AiiDA tutorials web site☆24Updated last year
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆34Updated 2 years ago
- New version of dft-book for Quantum Espresso☆45Updated 5 years ago
- More efficient and faster version of pyscal☆22Updated 4 months ago
- ase interface for Quantum Espresso☆22Updated 4 years ago
- A repository for the implementation of common workflow interfaces across materials-science codes and plugins☆54Updated 10 months ago
- A physics computational framework for python and ipython☆38Updated 2 months ago
- Be a master builder of databases of material properties. Avoid the Kragle.☆64Updated this week
- ASE density-functional tight-binding calculator☆67Updated 7 months ago
- Fermi surface generation, analysis and visualisation.☆95Updated 2 weeks ago
- ☆20Updated 2 years ago
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆64Updated last year
- Pymatgen-db provides an addon to the Python Materials Genomics (pymatgen) library (https://pypi.python.org/pypi/pymatgen) that allows the…☆50Updated last week
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆20Updated 7 months ago
- QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine☆14Updated last year
- GUI4dft - first free SIESTA oriented GUI☆26Updated 3 weeks ago
- Thermodynamic Phase Diagram Generator☆55Updated 3 years ago
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆33Updated last week
- AiiDAlab App for Quantum ESPRESSO☆20Updated this week
- General purpose tools for high-throughput catalysis☆96Updated 3 months ago
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated last month
- Generating Deep Potential with Python☆69Updated last week
- A Basic Symmetry Module (Python)☆17Updated 5 months ago