Qi-max / amlearnLinks
Machine Learning Package Targeted for Amorphous Materials.
☆19Updated 4 years ago
Alternatives and similar repositories for amlearn
Users that are interested in amlearn are comparing it to the libraries listed below
Sorting:
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆71Updated last year
- Repository for spectral neighbor analysis potential (SNAP) model development.☆36Updated 5 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Updated last year
- Machine Learning Interatomic Potential Predictions☆90Updated last year
- ☆12Updated 2 weeks ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago
- A code to compute the radial distribution function☆21Updated 6 years ago
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆52Updated 7 years ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆49Updated 3 years ago
- A grain boundary generation code☆69Updated last year
- updated constant potential plugin for LAMMPS☆39Updated 2 years ago
- Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…☆27Updated 3 years ago
- Inverse Design of Materials by Multi-objective Differential Evolution☆47Updated 5 years ago
- LAMMPS interface for phonon calculations using phonopy☆87Updated 10 months ago
- Python library written in C++ for calculation of local atomic structural environment☆63Updated 10 months ago
- Automatic generation of crystal structure descriptions.☆121Updated last week
- Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.☆57Updated last year
- Generate random alloys and compute various properties☆56Updated 7 months ago
- MAISE Module for Ab Initio Structure Evolution (MAISE)☆34Updated this week
- ☆39Updated last year
- A software to calculate thermal conductivity quickly and accurately☆35Updated 5 years ago
- potfit force-matching code☆38Updated last year
- scripts to load all data from ICSD, Materials Project, and OQMD☆63Updated 2 years ago
- Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).☆26Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.☆60Updated last month
- Thermo_pw is a driver of quantum-ESPRESSO routines for the automatic computation of ab-initio material properties.☆53Updated this week
- Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"☆30Updated last year
- Generate LAMMPS datafile of confined tribological systems for NEMD simulations. Structure: slab-OFM-alkane-OFM-slab☆11Updated 2 months ago
- Unsupervised landmark analysis for jump detection in molecular dynamics simulations.☆13Updated 4 years ago