Crystal Graph Convolutional Neural Networks tutorial
☆31Mar 27, 2023Updated 3 years ago
Alternatives and similar repositories for CGCNN_tutorial
Users that are interested in CGCNN_tutorial are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Python codes for calculation of polarization displacement vector in ferroelectric materials☆17Sep 11, 2026Updated last week
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆70May 3, 2024Updated 2 years ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Aug 26, 2025Updated last year
- Ferroelectric/Ferroelastic domain wall builder☆23Oct 17, 2024Updated last year
- This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…☆24Jun 5, 2024Updated 2 years ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Software for the text mining of the synthesis method, solvent, topology, organic linker, and metal precursor of metal-organic frameworks.☆23Mar 20, 2022Updated 4 years ago
- code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…☆30May 15, 2018Updated 8 years ago
- Universal atomic embedding based on crystalTransfomer☆25Jan 11, 2025Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆892Sep 6, 2021Updated 5 years ago
- Python package for Moiré EXciton calculations☆16Aug 31, 2026Updated 3 weeks ago
- Codes for translating structural defects to atomic properties☆15Sep 12, 2022Updated 4 years ago
- Crystal Edge Graph Attention Neural Network☆24Jun 17, 2024Updated 2 years ago
- Mirror of http://zeoplusplus.org/☆15May 3, 2018Updated 8 years ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- A flexible workflow for on-the-fly learning of interatomic potential models.☆35Aug 13, 2026Updated last month
- Deep learning model for predicting adsorption isotherms of MOFs☆18Oct 5, 2022Updated 3 years ago
- ☆35Oct 18, 2024Updated last year
- A deep neural network with hybrid architecture (EGNN + Transformer) for molecular properties prediction.☆22Dec 9, 2023Updated 2 years ago
- A crystal structure finder written in PyQt5 and Python3☆15Updated this week
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 4 years ago
- Julia package for studying electron-phonon coupling☆17Updated this week
- ☆13May 28, 2026Updated 3 months ago
- Polycrystal Graph Neural Network☆23Jun 13, 2023Updated 3 years ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- generative neural network trained with physics knowledge☆14Mar 8, 2021Updated 5 years ago
- We identify a ferroelectric topological structure, termed "dipole spiral," which exhibits a giant intrinsic piezoelectric response (>320 …☆10Aug 28, 2024Updated 2 years ago
- ☆37Sep 18, 2025Updated last year
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆30Jan 3, 2025Updated 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
- This is the repository of code and data for paper "Machine learning-enabled chemical space exploration of all-inorganic perovskites for p…☆12Sep 23, 2024Updated last year
- Predicting new perovskites with ensemble Machine Learning algorithms☆16Nov 8, 2025Updated 10 months ago
- Lectures, Assignments and Projects for all the courses I undertook during my Master in Machine Learning at Mila for 2019 - 2020☆13Sep 9, 2022Updated 4 years ago
- A short lecture introducing plane-wave DFT methods and DFTK☆14Jun 20, 2022Updated 4 years ago
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 3 years ago
- Supervised Regression using SVR and Neural Networks for Early Prediction of End-of-Life in Lithium-ion Batteries☆12Dec 24, 2023Updated 2 years ago
- C++ library for Exact Diagonalization of quantum many-body systems☆71Updated this week
- ☆14May 28, 2021Updated 5 years ago
- ☆12May 18, 2024Updated 2 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 …☆23Nov 13, 2021Updated 4 years ago
- pyPFC: An Open-Source Python Package for Phase Field Crystal Simulations☆16Sep 11, 2026Updated last week