killiansheriff / WarrenCowleyParametersLinks
OVITO Python modifier to compute the Warren-Cowley parameters.
☆37Updated 8 months ago
Alternatives and similar repositories for WarrenCowleyParameters
Users that are interested in WarrenCowleyParameters are comparing it to the libraries listed below
Sorting:
- OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.☆27Updated 10 months ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆77Updated last week
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆54Updated last month
- Quick Uncertainty and Entropy via STructural Similarity☆54Updated last week
- ☆100Updated last year
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆91Updated 3 months ago
- ☆72Updated 2 years ago
- ☆110Updated 2 weeks ago
- Python package to analyse the structural dynamics of perovskites☆48Updated 4 months ago
- ☆34Updated last week
- Active Learning for Machine Learning Potentials☆63Updated last month
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆31Updated 2 weeks ago
- Some tutorial-style examples for validating machine-learned interatomic potentials☆34Updated 2 years ago
- A lightweight python package for reading and writing VASP ML_AB files☆42Updated 10 months ago
- A foundational potential energy dataset for materials☆49Updated 3 weeks ago
- Graph neural network prediction of electronic Hamiltonians in atomic orbital representation with many body messages☆25Updated 2 months ago
- A molecular simulation package integrating MLFFs in MOFs for DAC☆41Updated 2 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆47Updated last week
- Grand canonical optimization of grain boundary phases.☆30Updated 7 months ago
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆23Updated last year
- Collection of tutorials to use the MACE machine learning force field.☆50Updated last year
- A Python package for the creation of input files for CP2K, MACE-torch, MatterSim, SevenNet, ORB and Grace as well as the post-processing …☆22Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆133Updated last week
- ☆15Updated 2 months ago
- Phonons from ML force fields☆23Updated 5 months ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆31Updated 2 years ago
- A python library for calculating materials properties from the PES☆129Updated this week
- `quansino` is a modular package based on the Atomic Simulation Environment (ASE) for quickly building custom Monte Carlo algorithms☆28Updated this week
- A Python library and command line interface for automated free energy calculations☆86Updated last week
- Julia implementation of algorithm for counting primitive rings in an atomistic structure. Useful for materials simulations☆16Updated 2 years ago