CompRhys / roostLinks
Representation Learning from Stoichiometry
☆58Updated 2 years ago
Alternatives and similar repositories for roost
Users that are interested in roost 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
- ☆33Updated last year
- ☆26Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆35Updated 2 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- ☆29Updated 3 years ago
- FTCP code☆35Updated last year
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆78Updated 3 years ago
- MODNet: a framework for machine learning materials properties☆98Updated 5 months ago
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- Predict materials properties using only the composition information!☆110Updated 2 years ago
- Crystal graph attention neural networks for materials prediction☆28Updated 2 years ago
- A system for rapid identification and analysis of metal-organic frameworks☆59Updated 10 months ago
- A collection of tools and databases for atomistic machine learning☆48Updated 4 years ago
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 4 months ago
- Metadynamics code on the G-space.☆14Updated 3 years ago
- ☆34Updated 3 years ago
- The Wren sits on its Roost in the Aviary.☆60Updated last month
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated 2 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆28Updated 3 years ago
- A framework for performing active learning for training machine-learned interatomic potentials.☆39Updated last week
- The Element Movers Distance for chemical composition similarity☆35Updated 6 months ago
- Original implementation of CSPML☆27Updated 9 months ago
- ☆33Updated 2 weeks ago
- Active Learning for Machine Learning Potentials☆58Updated last month