Jiaxuan-Ma / MatDesignLinks
MatDesign: a programming-free AI platform to predict and design materials
☆74Updated 2 months ago
Alternatives and similar repositories for MatDesign
Users that are interested in MatDesign are comparing it to the libraries listed below
Sorting:
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆62Updated last year
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆75Updated 2 years ago
- ☆106Updated 2 months ago
- Repository for links to software packages and databases used in deep-learning applications for materials science☆148Updated 5 months ago
- Modules for cross validation, evaluation and plot of SISSO☆16Updated 5 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated 3 months ago
- Automatic generation of crystal structure descriptions.☆125Updated 2 weeks ago
- Computational Materials Science(Book)☆102Updated 9 months ago
- [MGE Advances 2025] Offical implement of BgoFace☆17Updated 2 months ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆38Updated 3 years ago
- RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…☆47Updated 4 months ago
- A grain boundary generation code☆76Updated 2 years ago
- A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.☆66Updated 2 weeks ago
- Generate random alloys and compute various properties☆60Updated 10 months ago
- A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.☆333Updated 6 months ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated this week
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆63Updated 6 months ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆62Updated 6 years ago
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆61Updated 3 months ago
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- Examples LAMMPS simulations to generate thermodynamic properties of simple molecular models☆87Updated 3 years ago
- Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling☆30Updated 6 years ago
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆31Updated 9 months ago
- MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…☆74Updated last year
- 新生入学培训资料☆18Updated 3 years ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆108Updated last year
- Python scripts for dealing with molecular dynamics script for LAMMPS☆17Updated 3 years ago