Matgenix / pysissoLinks
Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
☆62Updated last year
Alternatives and similar repositories for pysisso
Users that are interested in pysisso are comparing it to the libraries listed below
Sorting:
- MatDesign: a programming-free AI platform to predict and design materials☆74Updated 2 months ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- Modules for cross validation, evaluation and plot of SISSO☆16Updated 5 years ago
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆75Updated 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 …☆19Updated 3 years ago
- Automatic generation of crystal structure descriptions.☆125Updated 2 weeks ago
- ☆61Updated 4 years ago
- This is a conditionally generative model for crystal structures based on a modified version of CDVAE.☆34Updated 2 months ago
- ☆17Updated 3 years ago
- Repository for links to software packages and databases used in deep-learning applications for materials science☆148Updated 5 months ago
- Predict materials properties using only the composition information!☆110Updated 2 years ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆23Updated 3 months ago
- A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.☆13Updated last month
- Crystal Edge Graph Attention Neural Network☆23Updated last year
- A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.☆40Updated this week
- A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.☆333Updated 6 months ago
- Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures☆31Updated 9 months ago
- Python library for the construction of porous materials using topology and building blocks.☆73Updated 4 months ago
- Machine Learning Interatomic Potential Predictions☆93Updated last year
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆63Updated 6 months ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆110Updated last year
- an automatic reaction network generator for reactive molecular dynamics simulation☆94Updated this week
- MatDeepLearn for DOS prediction☆24Updated 3 years ago
- Crystal Graph Convolutional Neural Networks tutorial☆28Updated 2 years ago
- ☆26Updated last month
- Clean, Uniform and Refined with Automatic Tracking from Experimental Database (CURATED) COFs☆40Updated last year
- ☆106Updated 2 months ago
- ☆97Updated last week
- A Python library for building atomic neural networks☆117Updated 5 months ago
- ☆62Updated 10 months ago