asmanouira / CrystalGAN
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
- image-based generative model for inverse design of solid state materials☆39Updated 3 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- ☆28Updated 2 years ago
- FTCP code☆33Updated last year
- ☆26Updated 3 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- ☆33Updated 8 months ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆35Updated 5 years ago
- ☆30Updated 3 years ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- Original implementation of CSPML☆23Updated 3 months ago
- A system for rapid identification and analysis of metal-organic frameworks☆51Updated 3 months ago
- Graph neural network potential with charge transfer☆35Updated 2 years ago
- ☆10Updated last year
- A collection of tools and databases for atomistic machine learning☆48Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆19Updated 9 months ago
- Mirror of http://zeoplusplus.org/☆8Updated 6 years ago
- ☆23Updated 7 months ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆35Updated 9 months ago
- Materials Transformers☆25Updated 2 years ago
- We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …☆16Updated 3 years ago
- MatDeepLearn for DOS prediction☆23Updated 2 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Updated 2 years ago
- Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments☆22Updated last year
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 2 years ago
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆60Updated 10 months ago
- ☆22Updated 2 years ago
- Machine learning model for crystal lattice constant prediction☆14Updated 4 years ago