by256 / icsg3dLinks
3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
☆41Updated 2 years ago
Alternatives and similar repositories for icsg3d
Users that are interested in icsg3d are comparing it to the libraries listed below
Sorting:
- Representation Learning from Stoichiometry☆59Updated 2 years ago
- FTCP code☆34Updated last year
- Predict materials properties using only the composition information!☆102Updated 2 years ago
- Machine Learning Interatomic Potential Predictions☆90Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆68Updated this week
- ☆33Updated 10 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- scripts to load all data from ICSD, Materials Project, and OQMD☆59Updated 2 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆47Updated 2 years ago
- MatDeepLearn for DOS prediction☆24Updated 2 years ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- Active Learning for Machine Learning Potentials☆55Updated last year
- A Python library and command line interface for automated free energy calculations☆79Updated 2 weeks ago
- A collection of tools and databases for atomistic machine learning☆48Updated 3 years ago
- Automatic generation of crystal structure descriptions.☆117Updated this week
- Crystal graph convolutional neural networks for predicting material properties.☆33Updated 2 years ago
- Crystal Edge Graph Attention Neural Network☆21Updated 11 months ago
- ☆26Updated last year
- Crystal graph attention neural networks for materials prediction☆27Updated last year
- ☆24Updated 9 months ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆53Updated 2 weeks ago
- Deep learning framework for atomistic image data☆34Updated 4 months ago
- SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)☆47Updated 3 years ago
- ☆53Updated 4 years ago
- GRACE models and gracemaker (as implemented in TensorPotential package)☆57Updated last month
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 2 years ago
- CrySPY is a crystal structure prediction tool written in Python.☆129Updated last year
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 3 years ago
- A text-guided diffusion model for crystal structure generation☆52Updated last week