Qi-max / amlearnLinks
Machine Learning Package Targeted for Amorphous Materials.
☆20Updated 4 years ago
Alternatives and similar repositories for amlearn
Users that are interested in amlearn are comparing it to the libraries listed below
Sorting:
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- Machine Learning Interatomic Potential Predictions☆94Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 5 years ago
- ☆12Updated last week
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Generate random alloys and compute various properties☆62Updated 11 months ago
- A for finding optimized SQS structures tool written in C++☆58Updated 2 weeks ago
- A Python library and command line interface for automated free energy calculations☆84Updated last week
- LAMMPS plugins for thermal conductivity and density of states calculation☆50Updated 6 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆28Updated 4 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆53Updated 7 years ago
- A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…☆43Updated 2 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆35Updated last month
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆48Updated 3 years ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆73Updated last year
- scripts to load all data from ICSD, Materials Project, and OQMD☆67Updated 3 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- ☆62Updated 11 months ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆50Updated 6 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆27Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆64Updated last year
- LAMMPS interface for phonon calculations using phonopy☆89Updated 2 weeks ago
- Automatic generation of crystal structure descriptions.☆125Updated 3 weeks ago
- Defect structure-searching employing chemically-guided bond distortions☆108Updated this week
- Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)☆67Updated last year
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated 2 years ago
- ☆41Updated last year
- potfit force-matching code☆42Updated last year
- This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …☆29Updated 5 years ago
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated 6 months ago