Code snippets for pre- and postprocessing simulation runs with Ovito, ASE and other tools
☆11Aug 2, 2024Updated last year
Alternatives and similar repositories for code-snippets
Users that are interested in code-snippets are comparing it to the libraries listed below
Sorting:
- A collection of scripts for pairing OVITO with freud and other Glotzer lab packages☆16Feb 9, 2026Updated last month
- Manage scientific data☆16Jul 4, 2024Updated last year
- Read and analyze surface topographies☆25Mar 5, 2026Updated 2 weeks ago
- Düsseldorf Advanced Material Simulation Kit (DAMASK) "live plotter" for Jupyter☆10May 8, 2019Updated 6 years ago
- Atomistica is a library of interatomic potentials that is compatible with ASE and LAMMPS☆93Dec 5, 2025Updated 3 months ago
- Converts Latex to OMML - the XML markup language used in docx files.☆11Mar 10, 2019Updated 7 years ago
- This jupyter notebook is part of the lecture "Data Science for Raman spectroscopy" imparted by Nicolás Coca-López during the Hands-on Wor…☆13Jan 15, 2023Updated 3 years ago
- ☆13Mar 10, 2017Updated 9 years ago
- Materials science with Python at the atomic-scale☆232Mar 11, 2026Updated last week
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Jun 28, 2018Updated 7 years ago
- A Python package for advanced processing and combinatorial analysis of spectroscopy data.☆16Sep 7, 2024Updated last year
- Kinetic Monte Carlo with multiple time scales and sensitivity analysis☆28Oct 29, 2022Updated 3 years ago
- Build html documentation by Sphinx, and push to branch gh-pages.☆11Nov 13, 2021Updated 4 years ago
- Simulation of Radiation Detectors with GEANT4☆24Nov 22, 2013Updated 12 years ago
- Random Laser simulation using COMSOL Multiphysics.☆16Oct 18, 2021Updated 4 years ago
- Python library for reading common AFM file formats☆13Feb 4, 2026Updated last month
- Python scripts to manage and postprocess quantum espresso and yambo calculation.☆19Mar 13, 2026Updated last week
- Python scripts for plot band structure from Quantum Espresso (pwscf) bands.x output files☆21May 17, 2024Updated last year
- potfit force-matching code☆42Feb 21, 2024Updated 2 years ago
- Atomsk: A Tool For Manipulating And Converting Atomic Data Files -☆241Feb 24, 2026Updated 3 weeks ago
- 基于python的PLUMED的可视化界面开发☆12Jan 8, 2025Updated last year
- ☆12Feb 24, 2026Updated 3 weeks ago
- PAPRECA hybrid off-lattice kinetic Monte Carlo/molecular dynamics (kMC/MD) simulator☆15Aug 15, 2025Updated 7 months ago
- This repository contains code for predicting multiaxial fatigue life of metals using deep learning models (CNN, LSTM, and GRU) combined w…☆24Aug 6, 2024Updated last year
- A Julia package for fitting the equation of state of solids, and more☆15Sep 18, 2025Updated 6 months ago
- MatID is a Python package for identifying and analyzing atomistic systems based on their structure.☆14Aug 26, 2025Updated 6 months ago
- An introduction course about scientific computing and research for the first year undergraduates taught at Fudan University.☆10Nov 6, 2025Updated 4 months ago
- Script for the generation of finite-thickness interface elements for polycrystal microstructure modelling☆26May 12, 2025Updated 10 months ago
- Data visualization software☆30Jan 9, 2017Updated 9 years ago
- A pytorch toolbox designed for experimentation using a generalization of the Resnet design.☆15Jul 6, 2023Updated 2 years ago
- My PhD thesis☆12Jan 7, 2020Updated 6 years ago
- Interfacial Phonon code☆28Jul 31, 2022Updated 3 years ago
- Program Package for Sampling, Training and Applying ML-based Potential models☆12Feb 25, 2026Updated 3 weeks ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Solving stochastic differential equations and Kolmogorov equations by means of deep learning and Multilevel Monte Carlo simulation☆12Aug 24, 2021Updated 4 years ago
- Python code to identify and calculate decomposition of materials using Raman spectroscopy☆29Dec 31, 2020Updated 5 years ago
- ☆13Nov 16, 2022Updated 3 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- The d-SEAMS C++ core engine☆38Updated this week