Run and manage EMTO-DFT calculations easily with this Python package
☆13Jan 10, 2021Updated 5 years ago
Alternatives and similar repositories for pyemto
Users that are interested in pyemto are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- POST code for second order elastic constant☆45Apr 14, 2020Updated 6 years ago
- A general parser for VASP☆15Updated this week
- Korringa-Kohn-Rostoker (multiple scattering theory/Green's function method) band structure calculation☆20Dec 31, 2025Updated 4 months ago
- Yang model extraction tool.☆18Sep 7, 2025Updated 8 months ago
- 立功科技代理华大半导体MCU资料☆13Feb 17, 2020Updated 6 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- Python API wrapping the AFLUX API language for AFLOW library.☆30May 6, 2021Updated 5 years ago
- Extracts full elastic tensor from VASP OUTCAR and calculates some useful quantities☆27Oct 23, 2015Updated 10 years ago
- LAMMPS code for stacking fault energy calculation☆11Sep 23, 2020Updated 5 years ago
- A tool for finding optimized SQS structures tool written in C++☆72Apr 22, 2026Updated last month
- A program that converts VASP POSCAR files to crystallographic information file format (CIF)☆23Aug 23, 2013Updated 12 years ago
- Multiple Scattering Theory code for first principles calculations☆76Updated this week
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆39Apr 28, 2016Updated 10 years ago
- Implementation of STN (Spatial Transformer Network) and ICSTN (Inverse Compositional Spatial Transformer Networks) in Tensorlayer to pred…☆15Dec 6, 2021Updated 4 years ago
- Utility for applying the distortion symmetry method.☆28Feb 21, 2024Updated 2 years 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.
- Accelerated design for high entropy alloys based on machine learning and multi-objective optimization☆13Dec 27, 2023Updated 2 years ago
- APEX: Alloy Properties EXplorer using simulations☆45Mar 30, 2026Updated last month
- 虎跃加速器——轻松连接全世界☆37Jan 19, 2026Updated 4 months ago
- Machine learning approach to Fe-based soft magnetic nanocrystalline materials design☆23Apr 16, 2020Updated 6 years ago
- [NPJ Com Mat 2023 | Small 2024] Machine Learning Algorithm : outlier identifying, feature selection☆14Jan 21, 2026Updated 4 months ago
- Advanced data SCiEnce toolkit for Non-Data scientists☆69May 7, 2026Updated 2 weeks ago
- ⚗️ matador is an aggregator, manipulator and runner of first-principles calculations, written with a bent towards battery 🔋 electrode ma…☆35Feb 1, 2026Updated 3 months ago
- 登陆大连理工大学校园网的脚本☆20Dec 6, 2019Updated 6 years ago
- A software to calculate thermal conductivity quickly and accurately☆38Feb 20, 2020Updated 6 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- A Python library to calculate elastic properties of materials.☆62Jul 23, 2025Updated 10 months ago
- Python version of magpie attribute generators.☆21Dec 28, 2017Updated 8 years ago
- ☆12Sep 24, 2024Updated last year
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- Calculate 3rd order elastic constant.☆13Mar 23, 2025Updated last year
- A python messaging library for RPC, task queues and broadcasts☆18Apr 13, 2026Updated last month
- Automatic search for the most stable magnetic state of a given structure☆25Feb 17, 2026Updated 3 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.
- Zeobuilder is an extensible GUI-toolkit for molecular model construction.☆13Feb 15, 2019Updated 7 years ago
- Batik motif classification (5 classes) using VGG16 transfer learning☆14Jul 26, 2024Updated last year
- Python CLI tool to run a query and convert the results to json, csv, excel in the command line or python program☆53May 17, 2026Updated last week
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆24May 2, 2026Updated 3 weeks ago
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆23May 6, 2026Updated 2 weeks ago
- Etomica is a molecular simulation framework written in Java, developed at the Department of Chemical & Biological Engineering at the Uni…☆16May 6, 2026Updated 2 weeks ago
- ☆12Feb 28, 2020Updated 6 years ago