anthony-wang / CrabNetLinks
Predict materials properties using only the composition information!
☆107Updated 2 years ago
Alternatives and similar repositories for CrabNet
Users that are interested in CrabNet are comparing it to the libraries listed below
Sorting:
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆34Updated 2 years ago
- Matbench: Benchmarks for materials science property prediction☆162Updated 11 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆195Updated 2 years ago
- FTCP code☆35Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆70Updated 2 months ago
- Machine Learning Interatomic Potential Predictions☆91Updated last year
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆77Updated 3 years ago
- The QMOF Database: A database of quantum-mechanical properties for metal-organic frameworks.☆146Updated 2 months ago
- ☆33Updated last year
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- Crystal Edge Graph Attention Neural Network☆22Updated last year
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆69Updated 3 weeks ago
- MSE5540/6640 Materials Informatics course at the University of Utah. Learn how data science tools are revolutionizing materials science!☆160Updated this week
- Universal Transfer Learning in Porous Materials, including MOFs.☆107Updated last year
- Workflow for creating and analyzing the Open Catalyst Dataset☆110Updated 6 months ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆116Updated 6 months ago
- Automatic generation of crystal structure descriptions.☆123Updated 2 weeks ago
- ☆26Updated 11 months ago
- Official implementation of DeepDFT model☆81Updated 2 years ago
- MODNet: a framework for machine learning materials properties☆94Updated 3 months ago
- Source code for generating materials with 20 space groups using PGCGM☆33Updated 2 years ago
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆97Updated 2 years ago
- This repository is no longer maintained. For the latest updates and continued development, please visit: https://github.com/atomgptlab/ja…☆90Updated last month
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- A text-guided diffusion model for crystal structure generation☆62Updated 2 months ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆48Updated 2 years ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated last year