jxzhangjhu / MatDesINNeLinks
Inverse materials design via invertible neural networks
☆65Updated 2 years ago
Alternatives and similar repositories for MatDesINNe
Users that are interested in MatDesINNe are comparing it to the libraries listed below
Sorting:
- ☆14Updated 3 years ago
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆22Updated 2 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆45Updated last year
- ☆34Updated 3 months ago
- Accelerated Design of Layered Materials with Bayesian Optimization☆20Updated 7 years ago
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Updated 2 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Updated 2 years ago
- Course materials for "Applied AI for Materials Science and Engineering"☆68Updated 3 years ago
- Distributed representations of atoms, inspired by the Skip-gram model☆26Updated 2 years ago
- The Wren sits on its Roost in the Aviary.☆61Updated 2 months ago
- Design space subset estimation using Bayesian algorithm execution with sklearn GP models☆25Updated last year
- ☆12Updated last year
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆19Updated last year
- Materials Design by Monte Carlo Tree Search☆35Updated 4 years ago
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆38Updated 2 years ago
- Uncertainty Quantification for Materials Property Prediction: a Benchmark Study☆17Updated last year
- Generative deep learning model for inorganic materials☆19Updated 2 years ago
- A program to automatically generate volcano plots for catalysis.☆15Updated last year
- ☆22Updated 2 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 years ago
- ☆23Updated 3 years ago
- ☆43Updated last year
- ☆12Updated 5 years ago
- Codebase to drive the Perovskite Automated Spin Coat Assembly Line (PASCAL) in the Fenning research group.☆20Updated last week
- Benchmark AFLOW Data Sets for Machine Learning doi.org/10.1007/s40192-020-00174-4☆11Updated 5 years ago
- An overview of literature that discusses the use of machine learning for atomistic simulations☆45Updated 2 years ago
- Deep learning for crystal-structure recognition and analysis of atomic structures☆44Updated last year
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Updated 3 years ago
- ☆20Updated last year