NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction
☆70May 3, 2024Updated 2 years ago
Alternatives and similar repositories for mt-cgcnn
Users that are interested in mt-cgcnn are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Crystal graph convolutional neural networks for predicting material properties.☆33Nov 9, 2022Updated 3 years ago
- An unofficial jax/haiku implementation of Crystal Graph Convolutional Neural Networks (CGCNN)☆10Dec 17, 2022Updated 3 years ago
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆86Dec 17, 2024Updated last year
- Crystal graph convolutional neural networks for predicting material properties.☆873Sep 6, 2021Updated 4 years ago
- Generative deep learning model for inorganic materials☆20Mar 24, 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.
- Representation Learning from Stoichiometry☆61Dec 12, 2022Updated 3 years ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ https://www.youtube.com/@dr_k_choudhary☆322Aug 25, 2025Updated 9 months ago
- A Reinforcement Framework for Inverse Design of MOFs☆34Aug 7, 2024Updated last year
- Introducing AlloyBERT: a transformer encoder-based model for predicting alloy properties from textual inputs. Leveraging RoBERTa and self…☆13Aug 5, 2024Updated last year
- ☆16Aug 5, 2022Updated 3 years ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆111Dec 15, 2023Updated 2 years ago
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆36Nov 7, 2019Updated 6 years ago
- Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals☆557Apr 27, 2023Updated 3 years ago
- Crystal Graph Convolutional Neural Networks tutorial☆32Mar 27, 2023Updated 3 years ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- ☆12Oct 18, 2022Updated 3 years ago
- A program to automatically generate volcano plots for catalysis.☆15Dec 6, 2024Updated last year
- Crystal Graph Neural Networks☆109Apr 20, 2024Updated 2 years ago
- Predict materials properties using only the composition information!☆127Apr 23, 2023Updated 3 years ago
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆11Aug 23, 2022Updated 3 years ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆205Mar 20, 2023Updated 3 years ago
- AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction☆11Aug 18, 2023Updated 2 years ago
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆51Oct 22, 2023Updated 2 years ago
- A suite of computational materials science tools.☆145Apr 3, 2024Updated 2 years ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- Reproduction of CGCNN for predicting material properties☆27Jun 1, 2026Updated last week
- Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.☆39Oct 4, 2023Updated 2 years ago
- Crystal graph attention neural networks for materials prediction☆31Jul 18, 2023Updated 2 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆40Nov 21, 2019Updated 6 years ago
- ☆34Jul 14, 2024Updated last year
- WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions☆33Apr 8, 2024Updated 2 years ago
- CrySPY is a crystal structure prediction tool written in Python.☆151Oct 6, 2025Updated 8 months ago
- Scalable graph neural networks for materials property prediction☆64Feb 2, 2026Updated 4 months ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆42Feb 15, 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.
- Python API wrapping the AFLUX API language for AFLOW library.☆30May 6, 2021Updated 5 years ago
- Machine Learning in Condensed Matter Physics 2019 course repository☆64Oct 1, 2019Updated 6 years ago
- image-based generative model for inverse design of solid state materials☆44Feb 18, 2022Updated 4 years ago
- Veidt is a deep learning library for materials science.☆18May 5, 2020Updated 6 years ago
- Density functional theory workflows for finite temperature thermodynamics based on atomate workflows.☆10Feb 11, 2021Updated 5 years ago
- Mirror of http://zeoplusplus.org/☆14May 3, 2018Updated 8 years ago
- Software for evaluating pareto-optimal synthesis pathways☆24Jun 10, 2024Updated last year