"Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Jean Michel Sellier, Yoshua Bengio
☆36Nov 7, 2019Updated 6 years ago
Alternatives and similar repositories for Encoding-Decoding-3D-Crystals
Users that are interested in Encoding-Decoding-3D-Crystals are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Jun 1, 2024Updated last year
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆44Feb 15, 2023Updated 3 years ago
- Composition-Conditioned Crystal GAN pytorch code☆41Feb 28, 2022Updated 4 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆39Nov 21, 2019Updated 6 years ago
- Atomic Structure Generation from Reconstructing Structural Fingerprints☆15Oct 6, 2022Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Diffusion Probabilistic CDVAE☆26Dec 7, 2023Updated 2 years ago
- ☆12Jun 26, 2023Updated 2 years ago
- image-based generative model for inverse design of solid state materials☆43Feb 18, 2022Updated 4 years ago
- This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.☆19Feb 7, 2019Updated 7 years ago
- Twin-deep neural network for semi-supervised learning of materials properties☆12Feb 1, 2023Updated 3 years ago
- FTCP code☆37Oct 11, 2023Updated 2 years ago
- Source code for generating materials with 20 space groups using PGCGM☆34Dec 15, 2022Updated 3 years ago
- Automatic generation of crystal structure descriptions.☆134Updated this week
- Generative deep learning model for inorganic materials☆20Mar 24, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting with the flexibility to host WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Cloudways by DigitalOcean.
- Reproduction of CGCNN for predicting material properties☆24Updated this week
- ☆16Aug 5, 2022Updated 3 years ago
- Zeolite GAN☆28Jun 17, 2020Updated 5 years ago
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆68May 3, 2024Updated last year
- Python package to aid materials design and informatics☆133Mar 30, 2026Updated last week
- ☆12Dec 15, 2023Updated 2 years ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆165Apr 14, 2025Updated 11 months ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆368Aug 14, 2024Updated last year
- ☆21Jun 13, 2023Updated 2 years ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click and start building anything your business needs.
- ☆15Apr 8, 2023Updated 3 years ago
- JAXChem is a JAX-based deep learning library for complex and versatile chemical modeling☆81Jul 15, 2020Updated 5 years ago
- G-SchNet - a generative model for 3d molecular structures☆146Mar 24, 2023Updated 3 years ago
- DiffCSP: Finding Browser Bugs in Content Security Policy Enforcement through Differential Testing☆17Feb 27, 2023Updated 3 years ago
- Point symmetry analysis tool for theoretical chemistry objects☆22Dec 2, 2025Updated 4 months ago
- Structure Prototype Analysis Package can analyze symmetry and compare similarity of a large number of atomic structures.☆23Sep 9, 2022Updated 3 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆109Dec 15, 2023Updated 2 years ago
- This is the source code of CubicGAN generating cubic crystal structures using improved WGAN.☆10Jun 6, 2022Updated 3 years ago
- Python interface for the zeo++ package☆17Aug 15, 2025Updated 7 months ago
- DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A collection of tools and databases for atomistic machine learning☆48Jun 13, 2021Updated 4 years ago
- a Python3 library for ML modeling materials properties☆10Sep 15, 2019Updated 6 years ago
- Predict materials properties using only the composition information!☆123Apr 23, 2023Updated 2 years ago
- Threaded implementation of grid-based Bader charge analysis.☆17Oct 19, 2023Updated 2 years ago
- A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks☆15Jul 15, 2020Updated 5 years ago
- Text-based modeling of materials.☆35Mar 12, 2026Updated 3 weeks ago
- Representation Learning from Stoichiometry☆60Dec 12, 2022Updated 3 years ago