Tinystormjojo / geo-CGNNLinks
☆33Updated last year
Alternatives and similar repositories for geo-CGNN
Users that are interested in geo-CGNN are comparing it to the libraries listed below
Sorting:
- Crystal graph convolutional neural networks for predicting material properties.☆35Updated 2 years ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- FTCP code☆35Updated last year
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- ☆26Updated last year
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆78Updated 3 years ago
- Workflow for creating and analyzing the Open Catalyst Dataset☆112Updated 7 months ago
- Generate and predict molecular electron densities with Euclidean Neural Networks☆48Updated last year
- Python library for the construction of porous materials using topology and building blocks.☆72Updated 3 months ago
- Crystal Edge Graph Attention Neural Network☆22Updated last year
- ☆28Updated 3 years ago
- Predict materials properties using only the composition information!☆109Updated 2 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆49Updated 3 months ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆27Updated 3 years ago
- ☆33Updated 3 years ago
- ☆19Updated 10 months ago
- A large scale benchmark of materials design methods: https://www.nature.com/articles/s41524-024-01259-w☆71Updated 2 weeks ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- Integer Programming encoding for Crystal Structure Prediction with classic and quantum computing bindings☆49Updated 2 years ago
- Official implementation of DeepDFT model☆82Updated 2 years ago
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆66Updated last year
- scripts to load all data from ICSD, Materials Project, and OQMD☆65Updated 2 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆10Updated 2 years ago
- LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials☆48Updated this week
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- ☆60Updated 4 years ago
- This repo contains the datasets used for the paper The Design Space of E(3)-Equivariant Atom-Centered Interatomic Potentials.☆19Updated 3 years ago