rouyang2017 / SISSO
A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
☆271Updated last month
Alternatives and similar repositories for SISSO:
Users that are interested in SISSO are comparing it to the libraries listed below
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆54Updated 10 months ago
- Pretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov☆285Updated last month
- A Python package for manipulating atomistic data of software in computational science☆205Updated this week
- Graph deep learning library for materials☆315Updated this week
- doped is a Python software for the generation, pre-/post-processing and analysis of defect supercell calculations, implementing the defec…☆163Updated this week
- An automatic engine for predicting materials properties.☆147Updated last year
- Solvation model for the plane wave DFT code VASP.☆148Updated 7 months ago
- Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.☆393Updated last week
- Machine Learning Interatomic Potential Predictions☆89Updated last year
- The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field☆326Updated this week
- Useful scripts for VASP☆185Updated 3 years ago
- This add-on to pymatgen provides tools for analyzing diffusion in materials.☆107Updated this week
- Deep neural networks for density functional theory Hamiltonian.☆266Updated 5 months ago
- Software for generating machine-learning interatomic potentials for LAMMPS☆164Updated last month
- Repository for links to software packages and databases used in deep-learning applications for materials science☆137Updated 6 months ago
- Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.☆239Updated 7 months ago
- ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.☆145Updated 8 months ago
- ☆107Updated 2 years ago
- A code to generate atomic structure with symmetry☆301Updated this week
- MLMD: a programming-free AI platform to predict and design materials☆59Updated 2 weeks ago
- The Materials Project Workshop Curriculum☆114Updated 2 years ago
- Modules for cross validation, evaluation and plot of SISSO☆15Updated 5 years ago
- n2p2 - A Neural Network Potential Package☆233Updated 3 weeks ago
- A Python library for building atomic neural networks☆110Updated 3 weeks ago
- Tool to build force field input files for molecular simulation☆162Updated 2 weeks ago
- Atomistic Line Graph Neural Network https://scholar.google.com/citations?user=9Q-tNnwAAAAJ&hl=en https://www.youtube.com/watch?v=WYePj…☆258Updated last month
- New ASE compliant Python interface to VASP☆127Updated 2 years ago
- Fix lattice component(s) during relaxation in VASP☆115Updated 2 years ago
- ☆67Updated 3 years ago
- Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening☆101Updated 5 months ago