deepmaterials / dlmatreviewLinks
Repository for links to software packages and databases used in deep-learning applications for materials science
☆142Updated 2 months ago
Alternatives and similar repositories for dlmatreview
Users that are interested in dlmatreview are comparing it to the libraries listed below
Sorting:
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆74Updated last year
- Machine Learning Interatomic Potential Predictions☆90Updated last year
- Automatic generation of crystal structure descriptions.☆121Updated last week
- ☆96Updated 6 months ago
- MLMD: a programming-free AI platform to predict and design materials☆70Updated this week
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆60Updated 3 weeks ago
- Matbench: Benchmarks for materials science property prediction☆160Updated 10 months ago
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆55Updated last year
- Generating Deep Potential with Python☆67Updated this week
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆148Updated last year
- MatDeepLearn for DOS prediction☆24Updated 2 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆42Updated last year
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆35Updated 2 years ago
- An automatic engine for predicting materials properties.☆158Updated last year
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48Updated 2 years ago
- Benchmark Suite for Machine Learning Interatomic Potentials for Materials☆108Updated 3 years ago
- A Python library for building atomic neural networks☆115Updated 3 months ago
- Tutorials on CP2K calculations☆53Updated 3 years ago
- The Materials Project Workshop Curriculum☆116Updated 2 years ago
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated last week
- scripts to load all data from ICSD, Materials Project, and OQMD☆63Updated 2 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆97Updated 2 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- CrySPY is a crystal structure prediction tool written in Python.☆133Updated last week
- ☆59Updated 7 months ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆91Updated last week
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆122Updated last week
- Modules for cross validation, evaluation and plot of SISSO☆15Updated 5 years ago
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆31Updated 6 months ago