☆16Apr 2, 2025Updated last year
Alternatives and similar repositories for pyhea
Users that are interested in pyhea are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆31Jan 30, 2025Updated last year
- 收集和整理适用于高熵合金分子动力学模拟的势函数。A set of interatomic potentials suitable for molecular dynamics simulations of high entropy alloys.☆39May 15, 2026Updated 2 months ago
- MoDELib is the Mechanics of Defects Evolution Library, a c++ template library for computer simulations of defects in crystalline material…☆20Aug 21, 2023Updated 2 years ago
- ExaDiS (Exascale Dislocation Simulator) is a portable library for Discrete Dislocation Dynamics simulations that runs on GPU☆20Jun 1, 2026Updated last month
- Phase field model for material science applications.☆32Mar 4, 2019Updated 7 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- ☆24Jul 25, 2021Updated 4 years ago
- A c++ code to convert bestsqs.out from mcsqs (ATAT) to POSCAR for VASP.☆39Apr 28, 2016Updated 10 years ago
- deCIFer is a transformer-based model for crystal structure prediction, generating Crystallographic Information Files (CIFs) directly from…☆15Updated this week
- A Python package to perform a chemical motif characterization of short-range order.☆30Jul 19, 2025Updated last year
- Generate random alloys and compute various properties☆72May 26, 2026Updated last month
- Visualization library to work with the paraDIS dislocation dynamics code☆13Sep 27, 2018Updated 7 years ago
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆14Jun 3, 2026Updated last month
- Accelerated design for high entropy alloys based on machine learning and multi-objective optimization☆14Dec 27, 2023Updated 2 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆16Nov 17, 2023Updated 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.
- A program to automatically perform microkinetic modeling and generate microkinetic volcano plots for homogeneous catalysis reactions usin…☆15Apr 24, 2026Updated 2 months ago
- Electro-Chemical Optimizer☆12Apr 3, 2025Updated last year
- OVITO Python modifier to compute the Warren-Cowley parameters.☆50Apr 1, 2025Updated last year
- ParaDiS (Parallel Dislocation Simulator) is a massively parallel Discrete Dislocation Dynamics simulation tool to simulate motion and int…☆69Oct 21, 2024Updated last year
- Python package for uncertainty quantification in CALPHAD☆12Dec 2, 2024Updated last year
- Strain gradient plasticity code for Abaqus☆18Jul 27, 2022Updated 3 years ago
- ☆23Apr 5, 2025Updated last year
- An application for designing Al-Fe-Co-Cr-Ni high-entropy alloys by combining first-principles calculations and machine learning.☆29May 7, 2026Updated 2 months ago
- ☆24Updated this week
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- Utility scripts and programs for VASP calculations☆29Updated this week
- ASE framework for Monte Carlo simulations with machine learned interatomic potentials☆27Updated this week
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆26May 5, 2026Updated 2 months ago
- ☆12Aug 8, 2021Updated 4 years ago
- A toolkit for automatic calculation and analysis of elastic constants☆14Jun 11, 2025Updated last year
- Python wrappers for the Alloy Theoretic Automated Toolkit☆13Mar 19, 2013Updated 13 years ago
- Local Environment-based Atomic Features☆13Dec 19, 2024Updated last year
- 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
- CPU version of NEP☆100Jul 7, 2026Updated 2 weeks ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Additive Manufacturing - Common Data Model☆20Updated this week
- Open Calphad, thermodynamic calculation code