deepmaterials / dlmatreview
Repository for links to software packages and databases used in deep-learning applications for materials science
☆122Updated 2 months ago
Related projects ⓘ
Alternatives and complementary repositories for dlmatreview
- Machine Learning Interatomic Potential Predictions☆86Updated 8 months ago
- Automatic generation of crystal structure descriptions.☆103Updated this week
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆37Updated last year
- ☆54Updated 6 months ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆42Updated last year
- A Python library and command line interface for automated free energy calculations☆70Updated last week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆97Updated this week
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆60Updated last year
- Generating Deep Potential with Python☆59Updated this week
- CrySPY is a crystal structure prediction tool written in Python.☆115Updated 5 months ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆78Updated 2 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆45Updated 5 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆105Updated 2 years ago
- Generate random alloys and compute various properties☆46Updated 4 months ago
- Heat capacity predictor for porous materials☆13Updated 4 months ago
- FTCP code☆30Updated last year
- Crystal Edge Graph Attention Neural Network☆20Updated 4 months ago
- ☆48Updated 3 years ago
- ☆102Updated 2 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆127Updated 6 months ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆144Updated 4 months ago
- ☆21Updated 2 years ago
- Computational Materials Science(Book)☆67Updated last month
- Repository for spectral neighbor analysis potential (SNAP) model development.☆37Updated 4 years ago
- Tutorials on CP2K calculations☆43Updated 2 years ago
- A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.☆248Updated last month
- This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.☆46Updated 6 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆88Updated last year
- ☆32Updated last week
- ☆15Updated 3 years ago