osscar-org / jupyterlab-mol-visualizerLinks
A JupyterLab launcher extension to view the molecular orbitals.
☆18Updated 8 months ago
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 8 months ago
- ☆18Updated last year
- Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.☆32Updated 2 years ago
- Implements core functions for AiiDAlab.☆16Updated this week
- Python library written in C++ for calculation of local atomic structural environment☆61Updated 9 months ago
- pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.☆45Updated last week
- 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
- Tutorial material for hands-on sessions (work in progress)☆25Updated 3 years ago
- Gauge-including magnetically induced currents.☆28Updated last year
- A widget to visualize and edit atomic structures in Jupyter Notebook☆33Updated 3 months ago
- ☆15Updated last year
- A Basic Symmetry Module (Python)☆17Updated last month
- Python bindings to ObjCryst++ Object-Oriented Crystallographic Library☆17Updated 7 months ago
- Automated DFT Input File Generator using wxDragon☆14Updated last year
- Parallel Lammps Python interface - control a mpi4py parallel LAMMPS instance from a serial python process or a Jupyter notebook☆33Updated last week
- A software for automating materials science computations☆30Updated last month
- An ecosystem for digital reticular chemistry☆48Updated 8 months ago
- a unified interface for molecular harmonic vibrational frequency calculations☆31Updated 9 months ago
- An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…☆33Updated last week
- ☆22Updated 2 years ago
- Stand-alone thermochemistry in python for ORCA and Gaussian.☆31Updated 7 months ago
- MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments☆26Updated this week
- Python-based plane wave density functional theory code for educational purposes☆28Updated 2 months ago
- A Python assistant for performing and analyzing molecular dynamics simulations of soft matter systems☆15Updated 3 weeks ago
- tools for machine learning in condensed matter physics and quantum chemistry☆34Updated 3 years ago
- LAMMPS plugin for AiiDA☆25Updated last week
- Python program for aggregation and reaction☆21Updated 7 months ago
- an interface to semi-empirical quantum chemistry methods implemented with pytorch☆51Updated this week
- Jupyter notebooks for the lectures of the Introduction to Atomistic Modeling☆28Updated last month
- TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.☆22Updated last year