asmanouira / CrystalGANLinks
Learning to Discover Crystallographic Structures with Generative Adversarial Networks
☆38Updated 5 years ago
Alternatives and similar repositories for CrystalGAN
Users that are interested in CrystalGAN are comparing it to the libraries listed below
Sorting:
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- ☆32Updated 3 years ago
- FTCP code☆35Updated last year
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- Materials Transformers☆25Updated 2 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- Original implementation of CSPML☆26Updated 8 months ago
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆66Updated last year
- ☆33Updated last year
- ☆26Updated last year
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated 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"☆27Updated 3 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆34Updated 2 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆78Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆22Updated last year
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆34Updated 5 years ago
- ☆28Updated 3 years ago
- ☆33Updated 5 years ago
- ☆18Updated 9 months ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 3 years ago
- Scalable graph neural networks for materials property prediction☆62Updated last year
- Graph neural network potential with charge transfer☆36Updated 3 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 last year
- ☆30Updated 4 years ago
- ☆16Updated 3 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆34Updated last month