myyiqjy / Multi-Objective-Design-of-HEAsView external linksLinks
Accelerated design for high entropy alloys based on machine learning and multi-objective optimization
☆12Dec 27, 2023Updated 2 years ago
Alternatives and similar repositories for Multi-Objective-Design-of-HEAs
Users that are interested in Multi-Objective-Design-of-HEAs are comparing it to the libraries listed below
Sorting:
- Run and manage EMTO-DFT calculations easily with this Python package☆11Jan 10, 2021Updated 5 years ago
- Additive Manufacturing - Common Data Model☆16Feb 5, 2026Updated last week
- Utility scripts and programs for VASP calculations☆20Updated this week
- Elastocaloric Thermal Battery: AI-Designed Alloys for Efficient Waste Heat Recycling☆10Jul 18, 2024Updated last year
- ☆12Dec 3, 2023Updated 2 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 2 years ago
- Minimal implementation of graph attention student model architecture☆12Jan 22, 2026Updated 3 weeks ago
- ☆12Mar 12, 2023Updated 2 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆10Aug 18, 2023Updated 2 years ago
- [NPJ Com Mat 2023 | Small 2024] Machine Learning Algorithm : outlier identifying, feature selection☆14Jan 21, 2026Updated 3 weeks ago
- Integrated software for comprehensive BMS strategy validation, SOC accuracy estimation, cell boundary definition, and battery data analys…☆15Jul 31, 2024Updated last year
- Python package for uncertainty quantification in CALPHAD☆12Dec 2, 2024Updated last year
- ☆14Jun 25, 2021Updated 4 years ago
- Machine learning approach to Fe-based soft magnetic nanocrystalline materials design☆21Apr 16, 2020Updated 5 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆14Jun 11, 2025Updated 8 months ago
- Pytorch implementation of MPNN for Quantum Chemistry☆17Nov 7, 2024Updated last year
- Symbolic regression by uniform random global search☆13Jul 6, 2023Updated 2 years ago
- Modules for cross validation, evaluation and plot of SISSO☆16Oct 22, 2019Updated 6 years ago
- ☆19Oct 27, 2020Updated 5 years ago
- Implementation of a heterogeneous version of the GNN method MPNN with running code to try it out.☆19Apr 12, 2024Updated last year
- An overview over chemical datasets and where to find them☆17Aug 29, 2023Updated 2 years ago
- Worked on a dataset of high entropy alloys which is used to design materials for additive manufacturing. Being responsible for Performing…☆18Aug 20, 2022Updated 3 years ago
- Advanced data SCiEnce toolkit for Non-Data scientists☆68Oct 20, 2025Updated 3 months ago
- Symmetry prediction and knowledge discovery fromX-ray diffraction patterns using an interpretable machine learning approach☆21Dec 11, 2020Updated 5 years ago
- Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations☆27Jan 7, 2026Updated last month
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆84Sep 26, 2023Updated 2 years ago
- ☆20Jun 3, 2022Updated 3 years ago
- Python version of magpie attribute generators.☆20Dec 28, 2017Updated 8 years ago
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- NIM simPLEX: A concise scientific Nim library (with CLI and Python binding) providing samplings, uniform grids, and traversal graphs in c…☆21Oct 25, 2025Updated 3 months ago
- Python python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (…☆24Jan 20, 2026Updated 3 weeks ago
- A data-driven method combining symbolic regression and compressed sensing toward accurate & interpretable models.☆23Sep 9, 2021Updated 4 years ago
- Crystallography Companion Agent☆21Jul 8, 2022Updated 3 years ago
- nim Composition Space Optimization is a high-performance tool leveraging metaprogramming to implement several methods for selecting compo…☆23Nov 14, 2024Updated last year
- ☆19Sep 23, 2025Updated 4 months ago
- A Scheil-Gulliver simulation tool using pycalphad.☆26Dec 15, 2025Updated 2 months ago
- An application for designing Al-Fe-Co-Cr-Ni high-entropy alloys by combining first-principles calculations and machine learning.☆28Nov 17, 2025Updated 3 months ago
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated last year
- Automatic search for the most stable magnetic state of a given structure☆25Updated this week