Matgenix / pysissoLinks
Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
☆54Updated last year
Alternatives and similar repositories for pysisso
Users that are interested in pysisso are comparing it to the libraries listed below
Sorting:
- Python library for the construction of porous materials using topology and building blocks.☆68Updated 3 weeks ago
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆72Updated last year
- MLMD: a programming-free AI platform to predict and design materials☆70Updated 4 months ago
- Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.☆22Updated this week
- Machine Learning Interatomic Potential Predictions☆90Updated last year
- MatDeepLearn for DOS prediction☆24Updated 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
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- ☆54Updated 4 years ago
- ☆16Updated 3 years ago
- Modules for cross validation, evaluation and plot of SISSO☆15Updated 5 years ago
- LAMMPS plugins for thermal conductivity and density of states calculation☆46Updated 6 years ago
- Crystal Graph Convolutional Neural Networks tutorial☆27Updated 2 years ago
- Generate random alloys and compute various properties☆53Updated 6 months ago
- Representation Learning from Stoichiometry☆59Updated 2 years ago
- GPTFF allowing anyone to directly download and run the AI model in an out-of-the-box manner☆55Updated 3 months ago
- XDATCAR_toolkit- A tool for convert XDATCAR to PDB☆60Updated 6 years ago
- Universal Transfer Learning in Porous Materials, including MOFs.☆103Updated last year
- Predict materials properties using only the composition information!☆103Updated 2 years ago
- Expanded dataset of mechanical properties and observed phases of multi-principal element alloys☆35Updated 2 years ago
- Examples demonstrating how to reproduce the results in the paper.☆57Updated 7 months ago
- ☆49Updated 2 months ago
- ASE interface for fully constant potential with VASP☆34Updated 8 months ago
- FTCP code☆34Updated last year
- ☆108Updated 2 years ago
- PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…☆53Updated last year
- A Python library and command line interface for automated free energy calculations☆79Updated last week
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆58Updated this week
- Automatic generation of crystal structure descriptions.☆121Updated last week
- ☆18Updated last week