Fitting thermodynamic models with pycalphad - https://doi.org/10.1557/mrc.2019.59
☆95Oct 27, 2026Updated this week
Alternatives and similar repositories for ESPEI
Users that are interested in ESPEI are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Datasets to be used by ESPEI. CC-BY-4.0☆16Oct 9, 2021Updated 5 years ago
- CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.☆430Updated this week
- A Scheil-Gulliver simulation tool using pycalphad.☆34Updated this week
- Python package for uncertainty quantification in CALPHAD☆13Dec 2, 2024Updated last year
- Open Calphad, thermodynamic calculation code☆251Oct 21, 2026Updated last week
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- python toolset for Structure-Informed Property and Feature Engineering with Neural Networks. It offers unique advantages through (1) effo…☆24Jul 18, 2026Updated 3 months ago
- PyCalphad tutorial I for teaching how to interpret binary and ternary phase diagrams☆10Apr 7, 2023Updated 3 years ago
- A computationally efficient, fully open-source workflow for physically-informed CALPHAD model generation and parameter fitting.☆16Oct 15, 2026Updated 2 weeks ago
- VS Code Language Extension provides syntax highlighting for the Thermodynamic DataBase (TDB) files used in the CALPHAD community to descr…☆13Jun 19, 2026Updated 4 months ago
- OpenIEC: An open-source code for interfacial energy calculation in alloys☆40Dec 2, 2023Updated 2 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆15Nov 17, 2023Updated 2 years ago
- ☆12Oct 1, 2026Updated 3 weeks ago
- Zentropy-enhanced neural network☆23Jan 3, 2026Updated 9 months ago
- A modular Python framework for deploying, benchmarking, and analyzing state-of-the-art machine learning potentials and simulation workflo…☆29Oct 5, 2026Updated 3 weeks ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations☆36Jul 20, 2026Updated 3 months ago
- nim Composition Space Optimization is a high-performance tool leveraging metaprogramming to implement several methods for selecting compo…☆25Feb 21, 2026Updated 8 months ago
- Phase field model for precipitate aging in ternary analogues to Ni-based superalloys☆39Dec 16, 2020Updated 5 years ago
- ☆14Jul 13, 2022Updated 4 years ago
- This repository will house information and code examples of pulling thermodynamic data from metal alloy systems from the NIST alloy data …☆12Jun 2, 2022Updated 4 years ago
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆76Apr 26, 2026Updated 6 months ago
- MAterials Simulation Toolkit for use with pymatgen☆17Feb 21, 2024Updated 2 years ago
- A python package to simulate precipitation and diffusion behavior using Calphad☆48Jun 5, 2026Updated 4 months ago
- NIM simPLEX: A concise scientific Nim library (with CLI and Python binding) providing samplings, uniform grids, and traversal graphs in c…☆24Oct 25, 2025Updated last year
- 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.
- The Mesoscale Microstructure Simulation Project☆73Nov 5, 2020Updated 5 years ago
- Derivation and construction of a thermodynamic phase diagram for ternary alloy systems with 2 or 3 phases☆19Jun 16, 2020Updated 6 years ago
- The CHiMaD Phase Field Community Website☆66Jul 23, 2026Updated 3 months ago
- Tutorials, notebooks, issue tracker, and website on the MPDS API: the data retrieval interface for the Materials Platform for Data Scienc…☆27Aug 23, 2026Updated 2 months ago
- A Python package for adding uncertainties to neural network models of chemical systems.☆27Jul 5, 2022Updated 4 years ago
- Open-source library for analyzing the results produced by ABINIT☆143Oct 3, 2026Updated 3 weeks ago
- MatID is a python package for identifying and analyzing atomistic systems based on their structure. MatID is designed to help researchers…☆23Nov 28, 2023Updated 2 years ago
- A short tutorial on phase field models.☆29Jun 9, 2021Updated 5 years ago
- plug-n-play black box optimizer for high-throughput computing☆52Mar 8, 2023Updated 3 years ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- Materials Interface: methods in computational materials science☆28Mar 28, 2017Updated 9 years ago
- A demo code for implementation of differentiable thermodynamic modeling in JAX.☆11Sep 18, 2021Updated 5 years ago
- Onsager coefficients for interstitial and vacancy-mediated diffusion☆15Jan 31, 2025Updated last year
- Agent-based sequential learning software for materials discovery☆64Feb 7, 2024Updated 2 years ago
- Statistical Mechanics on Lattices☆101Oct 19, 2026Updated last week
- A fully automated approach to determine the melting temperature of crystalline materials☆22Sep 21, 2026Updated last month
- First-principles statistical mechanical software for the study of multi-component crystalline solids☆129Nov 13, 2023Updated 2 years ago