jxzhangjhu / MatDesINNeLinks
Inverse materials design via invertible neural networks
☆64Updated 2 years ago
Alternatives and similar repositories for MatDesINNe
Users that are interested in MatDesINNe are comparing it to the libraries listed below
Sorting:
- Python code for the paper Bayesian Optimization of Nanoporous Materials.☆23Updated 2 years ago
- Accelerated Design of Layered Materials with Bayesian Optimization☆19Updated 6 years ago
- These are the slides associated with the GNN tutorial at the APS March Meeting☆21Updated 2 years ago
- Distributed representations of atoms, inspired by the Skip-gram model☆26Updated 2 years ago
- A materials discovery algorithm geared towards exploring high-performance candidates in new chemical spaces.☆44Updated last year
- A Python package for adding uncertainties to neural network models of chemical systems.☆26Updated 3 years ago
- ☆14Updated 3 years ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Updated 3 years ago
- Materials Design by Monte Carlo Tree Search☆35Updated 3 years ago
- Generative deep learning model for inorganic materials☆18Updated 2 years ago
- Codes for translating structural defects to atomic properties☆14Updated 3 years ago
- This Python package is designed for mapping the solution space of machine learning models. An understanding of the organisation of the so…☆17Updated 3 weeks ago
- Bayesian optimization for chemistry☆17Updated last year
- ☆33Updated 3 weeks ago
- Zooming Memory Based Initialization (ZoMBI) algorithm for discovery of optima within challenging needle-in-a-haystack (extreme data imbal…☆17Updated last year
- A program to automatically generate volcano plots for catalysis.☆15Updated 10 months ago
- ☆26Updated 11 months ago
- ☆11Updated last year
- A dissipative particle dynamics (DPD) project.☆11Updated 2 years ago
- Code for performing adversarial attacks on atomistic systems using NN potentials☆40Updated 3 years ago
- R codes for generating candidates of novel polymers with high thermal conductivity using iqspr (R package)☆14Updated 6 years ago
- Code repository for "Finding symmetry breaking order parameters with Euclidean Neural Networks"☆16Updated 4 years ago
- Unsupervised fingerprinting of disordered solids leading to analogical materials discovery.☆10Updated 2 years ago
- Efficient phase diagram construction based on uncertainty sampling☆14Updated 3 years ago
- Course materials for "Applied AI for Materials Science and Engineering"☆67Updated 3 years ago
- Supplementary scripts for Z1+ users☆15Updated this week
- ☆20Updated last year
- ☆25Updated 2 months ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 2 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.☆37Updated 2 years ago