A demo code for implementation of differentiable thermodynamic modeling in JAX.
☆10Sep 18, 2021Updated 4 years ago
Alternatives and similar repositories for JAX-TherMo
Users that are interested in JAX-TherMo are comparing it to the libraries listed below
Sorting:
- Collection of ASE (Atomic Simulation Environment) Scripts for Bimetallic Nanoparticles☆11Oct 23, 2021Updated 4 years ago
- A Julia package that implements a category of reaction (transportation) network-type dynamical systems.☆18Aug 18, 2025Updated 6 months ago
- ☆21Jun 2, 2024Updated last year
- Open-source python package for multicomponent multiphase equilibrium CALPHAD calculations☆27Jan 7, 2026Updated last month
- Generate symmetrized force constants☆26Feb 24, 2026Updated last week
- A Python library and command line interface for automated free energy calculations☆86Feb 27, 2026Updated last week
- A Scheil-Gulliver simulation tool using pycalphad.☆26Updated this week
- ☆25Aug 20, 2025Updated 6 months ago
- The TurboGAP code☆21Feb 25, 2026Updated last week
- Band structure unfolding made easy!☆61Updated this week
- Heat-conductivity benchmark test for foundational machine-learning potentials☆30Jan 29, 2026Updated last month
- A smile is all you need: Predicting limiting activity coefficients from SMILES with natural language processing☆23Sep 2, 2024Updated last year
- ☆26Sep 3, 2024Updated last year
- A Python Package to Automate Thermodynamic Integration Calculations for Free Energy☆31Updated this week
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆29Sep 28, 2020Updated 5 years ago
- Descriptors (isometry invariants) of crystals based on geometry.☆37Nov 17, 2025Updated 3 months ago
- ☆13Dec 4, 2025Updated 3 months ago
- Estimate probability of failure using reframed Bayesian optimization☆10Aug 14, 2025Updated 6 months ago
- Hierarchical Bayesian inversion of electrochemical impedance spectroscopy (EIS) data☆12Jan 12, 2025Updated last year
- Course Materials for Fall 2020 for McGill Physics 512☆13Sep 6, 2021Updated 4 years ago
- Computing representations for atomistic machine learning☆79Feb 4, 2026Updated last month
- Alchemical machine learning interatomic potentials☆34Nov 8, 2024Updated last year
- You should use PySR to find scaling laws. Here's an example.☆33Sep 30, 2023Updated 2 years ago
- Python wrapper to the DIRECT global optimization algorithm with scipy.optimize compatible call syntax☆30Aug 4, 2022Updated 3 years ago
- ☆12Dec 12, 2024Updated last year
- Open-Source Software for the Multiscale Modeling of Combined Antisolvent and Cooling Crystallization in Turbulent Flow Using OpenFOAM☆11Nov 4, 2019Updated 6 years ago
- CALPHAD tools for designing thermodynamic models, calculating phase diagrams and investigating phase equilibria.☆366Feb 8, 2026Updated 3 weeks ago
- Atomistic Manipulation Toolkit☆36Aug 27, 2025Updated 6 months ago
- ☆42Feb 28, 2026Updated last week
- Python toolkit and package for analyzing enzyme activity data☆10Jun 17, 2022Updated 3 years ago
- My undergraduate final project - Modeling and control of a distillation column using neural networks and reinforcement learning.☆12Apr 28, 2020Updated 5 years ago
- Secretory Pathway Reconstruction for Human, CHO, and Mouse☆12Aug 24, 2021Updated 4 years ago
- Building a Fischer–Tropsch reactive distillation simulator using Pyomo☆14Dec 10, 2018Updated 7 years ago
- PyTorch使用技巧和教程☆11Apr 17, 2023Updated 2 years ago
- Always wanted to use Notion as your CMS? Well, now you can!☆10Dec 13, 2021Updated 4 years ago
- Automatically exported from code.google.com/p/another-chebpy☆13Apr 28, 2015Updated 10 years ago
- Amaru - Finite element library☆13May 15, 2025Updated 9 months ago
- Python based modular control simulation kickass toolbox☆11Sep 30, 2025Updated 5 months ago
- An offline corepresentation database and tool set for 1651 magnetic space groups.☆14Mar 23, 2023Updated 2 years ago