MilesZhao / CubicGANLinks
This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.
☆10Updated 3 years ago
Alternatives and similar repositories for CubicGAN
Users that are interested in CubicGAN are comparing it to the libraries listed below
Sorting:
- ☆26Updated last year
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- FTCP code☆35Updated last year
- scripts to load all data from ICSD, Materials Project, and OQMD☆65Updated 2 years ago
- MatDeepLearn for DOS prediction☆24Updated 3 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 …☆19Updated 3 years ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 4 months ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- ☆16Updated 3 years ago
- ☆10Updated last year
- Original implementation of CSPML☆27Updated 9 months ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆10Updated 2 years ago
- ☆34Updated 3 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆35Updated 2 years ago
- Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.☆60Updated 3 months ago
- ☆61Updated 4 years ago
- Solid-state synthesis science analyzer. Thermo, features, ML, and more.☆25Updated 3 years ago
- Wyckoff Inorganic Crystal Generator Framework☆24Updated 6 months ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- Machine learning model for crystal lattice constant prediction☆14Updated 4 years ago
- The Element Movers Distance for chemical composition similarity☆35Updated 6 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆71Updated last month
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation☆84Updated 2 weeks ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- A toolkit for querying data in OQMD.☆20Updated 3 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆150Updated 4 months ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago