Jiaxuan-Ma / MLMDLinks
MLMD: a programming-free AI platform to predict and design materials
☆70Updated this week
Alternatives and similar repositories for MLMD
Users that are interested in MLMD are comparing it to the libraries listed below
Sorting:
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆55Updated last year
- Repository for links to software packages and databases used in deep-learning applications for materials science☆142Updated 2 months ago
- A Bayesian global optimization package for material design | Adaptive Learning | Active Learning | 【BgoFace软件分享】BiliBili link☆15Updated this week
- Computational Materials Science(Book)☆95Updated 6 months ago
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆74Updated last year
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆22Updated 3 weeks ago
- ☆96Updated 6 months ago
- A grain boundary generation code☆69Updated last year
- Automatic generation of crystal structure descriptions.☆121Updated last week
- Modules for cross validation, evaluation and plot of SISSO☆15Updated 5 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated last week
- A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.☆286Updated 3 months ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆56Updated 4 months ago
- Machine Learning Interatomic Potential Predictions☆90Updated last year
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆35Updated 2 years ago
- Generate random alloys and compute various properties☆56Updated 7 months ago
- ☆38Updated 5 months ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- Required LAMMPS and MATLAB files for several molecular dynamics simulations.☆42Updated 3 years ago
- an automatic reaction network generator for reactive molecular dynamics simulation☆90Updated this week
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆51Updated 2 weeks ago
- LAMMPS input from lammpstutorials.github.io☆44Updated 3 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 6 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Updated last year
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 8 months ago
- New API client for the Materials Project☆138Updated 3 weeks ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- A Python library for building atomic neural networks☆115Updated 3 months ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆48Updated 6 years ago