soumyasanyal / mt-cgcnnLinks
NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Prediction
☆66Updated last year
Alternatives and similar repositories for mt-cgcnn
Users that are interested in mt-cgcnn are comparing it to the libraries listed below
Sorting:
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆81Updated 9 months ago
- Crystal Graph Neural Networks☆108Updated last year
- Scalable graph neural networks for materials property prediction☆62Updated last year
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆81Updated 3 years ago
- Representation Learning from Stoichiometry☆58Updated 2 years ago
- Crystal graph convolutional neural networks for predicting material properties.☆35Updated 2 years ago
- ☆33Updated last year
- ☆28Updated 3 years ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Workflow for creating and analyzing the Open Catalyst Dataset☆112Updated 7 months ago
- "Data-Driven Approach to Encoding and Decoding 3-D Crystal Structures", Jordan Hoffmann, Louis Maestrati, Yoshihide Sawada, Jian Tang, Je…☆34Updated 5 years ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆197Updated 2 years ago
- Reference implementation of "SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects"☆78Updated 3 years ago
- image-based generative model for inverse design of solid state materials☆40Updated 3 years ago
- Learning to Discover Crystallographic Structures with Generative Adversarial Networks☆38Updated 5 years ago
- Predict materials properties using only the composition information!☆109Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- FTCP code☆35Updated last year
- ☆33Updated 3 years ago
- ☆33Updated this week
- Materials Transformers☆25Updated 2 years ago
- Zeolite GAN☆22Updated 5 years ago
- Matbench: Benchmarks for materials science property prediction☆167Updated last year
- ☆26Updated last year
- Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction☆97Updated 2 years ago
- Tensorflow implementation of message passing neural networks for molecules and materials☆12Updated 5 years ago
- Generative materials benchmarking metrics, inspired by guacamol and CDVAE.☆40Updated last year
- AMPtorch: Atomistic Machine Learning Package (AMP) - PyTorch☆60Updated 2 years ago
- Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"☆28Updated 3 years ago
- Graph neural network potential with charge transfer☆36Updated 3 years ago