☆34Jul 14, 2024Updated 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 Neural Networks☆109Apr 20, 2024Updated last year
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆301Aug 25, 2025Updated 6 months ago
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 2 years ago
- ☆20Oct 18, 2022Updated 3 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆33Nov 9, 2022Updated 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 …☆21Nov 13, 2021Updated 4 years ago
- ☆19Sep 23, 2025Updated 5 months ago
- FTCP code☆36Oct 11, 2023Updated 2 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆39Nov 21, 2019Updated 6 years ago
- image-based generative model for inverse design of solid state materials☆42Feb 18, 2022Updated 4 years ago
- Implementation of "Chemical Design with GPU-based Ising Machine"☆14Jul 11, 2023Updated 2 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆10Aug 18, 2023Updated 2 years ago
- Compilation of code employed in the construction and analysis of the MOSAEC database.☆16Feb 6, 2025Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆825Sep 6, 2021Updated 4 years ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆202Mar 20, 2023Updated 2 years ago
- Tools for creating a MongoDB collection of ChemDataExtractor-snowball records☆14May 29, 2019Updated 6 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆552Apr 27, 2023Updated 2 years ago
- CrysGNN : Distilling pre-trained knowledge to enhance property prediction for crystalline materials. (AAAI-2023)☆30Jan 15, 2025Updated last year
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆84Dec 17, 2024Updated last year
- ☆14Jun 25, 2021Updated 4 years ago
- Python package for detecting spin space group on top of spglib☆20Oct 29, 2025Updated 4 months ago
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆68May 3, 2024Updated last year
- 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
- ☆19Jul 1, 2023Updated 2 years ago
- Code to access the Matscholar public API.☆67Jun 2, 2021Updated 4 years ago
- Symmetry prediction and knowledge discovery fromX-ray diffraction patterns using an interpretable machine learning approach☆21Dec 11, 2020Updated 5 years ago
- Generative deep learning model for inorganic materials☆19Mar 24, 2023Updated 2 years ago
- Statistical Mechanics on Lattices☆94Mar 2, 2026Updated last week
- Crystal Edge Graph Attention Neural Network☆23Jun 17, 2024Updated last year
- ☆19Jun 29, 2017Updated 8 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆43Feb 15, 2023Updated 3 years ago
- This is the code of KA-GNN☆89Sep 24, 2025Updated 5 months ago
- Introduction to DMRG, TDVP and TeNPy☆20Dec 14, 2021Updated 4 years ago
- About JARVIS-Tools: an open-source software package for data-driven atomistic materials design. Publications: https://scholar.google.com/…☆369Aug 25, 2025Updated 6 months ago
- ☆23Jul 23, 2019Updated 6 years ago
- Superconductors material dataset☆26Dec 5, 2023Updated 2 years ago
- ☆69Mar 13, 2024Updated last year
- For the conversion of crystal systems (as cifs) to LAMMPS inputs☆27Sep 13, 2021Updated 4 years ago
- predicting charges on MOF atoms via a message passing MOFs☆24Aug 18, 2020Updated 5 years ago