A demo code for implementation of differentiable thermodynamic modeling in JAX.
☆11Sep 18, 2021Updated 5 years ago
Alternatives and similar repositories for JAX-TherMo
Users that are interested in JAX-TherMo are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations☆36Jul 20, 2026Updated 3 months ago
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆32Sep 28, 2020Updated 6 years ago
- Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles☆12Oct 23, 2021Updated 5 years ago
- Menagerie of generative AI models for materials design☆15Nov 11, 2025Updated 11 months ago
- A Python module implemented in Rust for Phonopy☆11Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- Grain-boundary generator with Atomman☆13Sep 24, 2022Updated 4 years ago
- A Generative Diffusion Model for Crystal Symmetry☆30Apr 13, 2026Updated 6 months ago
- diffthermo, a python package for thermodynamically consistent OCV model construction☆12Aug 15, 2025Updated last year
- A python package for fast building amorphous solids and liquid mixtures from @materialsproject computed structures and machine learning i…☆11Apr 22, 2026Updated 6 months ago
- QuEmb is an open-source tool for efficient quantum chemistry simulation of large molecules and solids (1D and 2D periodic systems) via bo…☆12Updated this week
- Pymatgen Core☆30Updated this week
- An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…☆13Apr 8, 2024Updated 2 years ago
- Datasets to be used by ESPEI. CC-BY-4.0☆16Oct 9, 2021Updated 5 years ago
- The TurboGAP code☆22Updated this week
- 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.
- Band structure unfolding made easy!☆70Jul 6, 2026Updated 3 months ago
- Arjuna Public Documentation for Users☆14May 25, 2023Updated 3 years ago
- Fundamentals and Applications of Density Functional Theory with Interactive Live Scripts and Intuitive Codes☆23Jul 25, 2026Updated 3 months ago
- A Python library and command line interface for automated free energy calculations☆95Oct 11, 2026Updated 3 weeks ago
- A Scheil-Gulliver simulation tool using pycalphad.☆34Oct 26, 2026Updated last week
- ☆17May 28, 2013Updated 13 years ago
- Thermodynamics-informed symbolic regression☆15Jan 11, 2026Updated 9 months ago
- ☆15Jan 21, 2025Updated last year
- Framework to evaluate UMLFFs on experimental data☆17Jul 25, 2026Updated 3 months 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.
- Adds Orb Model functionality to LAMMPS via Python wrapping☆15Apr 1, 2025Updated last year
- Electronic structure code using G0W0 and GW0 calculations for realistic materials☆11Aug 24, 2020Updated 6 years ago
- Calculate scattering, absorption, and extinction cross-sections of a spherical particle☆14Apr 15, 2022Updated 4 years ago
- post-processing package that performs analysis of structural, transport, and thermodynamic properties from ab initio molecular dynamics s…☆16Updated this week
- ☆23Jun 2, 2024Updated 2 years ago
- MDDG is a lightweight Python code that allows MD trajectories to be visualised in terms of disconnectivity graphs.☆12Jul 23, 2026Updated 3 months ago
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆27Sep 1, 2026Updated 2 months ago
- A NLEIS toolbox for impedance.py that provides RC level nonlinear equivalent circuit modeling (nECM) and analysis☆17Jun 11, 2026Updated 4 months ago
- Crsytal simulation tools☆11Updated this week
- 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.
- An ASE-friendly implementation of the amorphous-to-crystalline (a2c) workflow.☆18Oct 19, 2025Updated last year
- materials for CCP5 summer school☆17Jul 22, 2026Updated 3 months ago
- Computing representations for atomistic machine learning☆83Oct 1, 2026Updated last month
- Primer of crystal symmetry and space group☆17Jan 7, 2026Updated 9 months ago
- CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.☆432Updated this week
- ☆23Updated this week
- Public repository for symmetry-adapted Gaussian Process Regression (SA-GPR)☆23Feb 3, 2025Updated last year