nmdl-mizo / interface_masterLinks
A python package building CSL or approximate CSL interfaces of any two lattices and computing cell of non-identical displacement (CNID).
☆17Updated 8 months ago
Alternatives and similar repositories for interface_master
Users that are interested in interface_master are comparing it to the libraries listed below
Sorting:
- A Python library and command line interface for automated free energy calculations☆85Updated 3 weeks ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆76Updated last week
- Python library for the construction of porous materials using topology and building blocks.☆79Updated 6 months ago
- ☆65Updated 4 years ago
- ☆107Updated this week
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- OVITO Python modifier to compute the Warren-Cowley parameters.☆36Updated 7 months ago
- Python package to interact with high-dimensional representations of the chemical elements☆46Updated this week
- Code for automated fitting of machine learned interatomic potentials.☆131Updated 2 weeks ago
- Active Learning for Machine Learning Potentials☆62Updated last week
- A python library for calculating materials properties from the PES☆125Updated this week
- Automated creation and manipulation of Chemical Reaction Networks (CRNs) in heterogeneous catalysis, allowing the evaluation of species a…☆39Updated last week
- CatBench - Benchmark Framework of Machine Learning Interatomic Potentials in Adsorption Energy Predictions☆29Updated 2 weeks ago
- Python package to analyse the structural dynamics of perovskites☆47Updated 3 months ago
- A... M... L...☆53Updated 3 years ago
- ☆72Updated 2 years ago
- Global Optimizer for Clusters, Interfaces, and Adsorbates☆30Updated 8 months ago
- Zeolite Simulation Environment☆22Updated last month
- ☆27Updated 2 weeks ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆61Updated 4 months ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆27Updated 2 years ago
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated 2 years ago
- ☆43Updated last year
- ☆31Updated 2 months ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆53Updated last year
- PACMOF is a small and easy to use python library that uses machine Learning to quickly estimate partial atomic charges in metal-organic …☆17Updated last year
- ☆15Updated last month
- PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…☆54Updated 3 weeks ago
- Strategies for the Construction of Neural-Network Based Machine-Learning Potentials (MLPs)☆28Updated 4 years ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆89Updated 2 months ago