PinwenGuan / JAX-TherMoLinks
A demo code for implementation of differentiable thermodynamic modeling in JAX.
☆10Updated 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:
- An python script implementation to solve classical Density Functional Theory for Lennard-Jones fluids on 1D and 3D geometries☆23Updated last year
- A flexible and performant framework for training machine learning potentials.☆30Updated last week
- tools for graph-based machine-learning potentials in jax☆25Updated last year
- ☆34Updated last year
- On-the-fly generator of space-group irreducible representations☆56Updated last week
- Library for Crystal Symmetry in Rust☆64Updated last week
- ☆14Updated 2 years ago
- NIST Interatomic Potential Repository property calculation tools☆12Updated 3 months ago
- ☆17Updated 8 months ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Updated last year
- ☆42Updated last week
- Sparse Gaussian Process Potentials☆28Updated 2 months ago
- Tutorial to learn basic features of atomate2☆15Updated last year
- Machine Learned Interatomic Potential Tools☆24Updated last week
- materials science related animations☆13Updated 11 months ago
- Machine Learning Interatomic Potentials with the Atomic Cluster Expansion☆64Updated this week
- ☆11Updated last year
- Quick Uncertainty and Entropy via STructural Similarity☆54Updated last week
- Self-describing sparse tensor data format for atomistic machine learning and beyond☆90Updated this week
- A fully automated approach to determine the melting temperature of crystalline materials☆20Updated last year
- New version of dft-book for Quantum Espresso☆46Updated 5 years ago
- Agent-based sequential learning software for materials discovery☆63Updated last year
- Auto-differentiated descriptors using Enzyme☆12Updated 8 months ago
- dataset augmentation for atomistic machine learning☆21Updated 2 weeks ago
- Tools for machine learnt interatomic potentials☆39Updated 3 weeks ago
- Julia Bindings for Atomic Simulation Environment☆38Updated 5 years ago
- Official repository for the paper "Uncertainty-biased molecular dynamics for learning uniformly accurate interatomic potentials".☆21Updated last year
- ☆17Updated 2 months ago
- ☆27Updated last year
- Material of the seminar "Julia for Materials Modelling"☆30Updated 2 years ago