An open-source numerical library for machine learning. Various functions related to deep learning are implemented. This package directly treats equations as such, and have useful routines such as matrix operation and auto partial derivative. Users can convert their codes into C language, and can compile it. High speed operation by GPGPU parallel calculation is supported. A number of tutorials are available.
An open-source numerical library for machine learning. Various functions related to deep learning based on neural networks are implemented. Users can implement complex network with flexible description, and can try various state-of-the-art methods. This package is used in a number of companies in the world. This package is written by the script language, lua.
XenonPy is a high-throughput material exploration framework based on machine learning technologies. This library can generate various chem/phys descriptors for machine learning to explore materials in virtual environment. Descriptors in matminer can be also used. Model training is done by PyTorch. Visualization tool for descriptor and transfer learning framework are also provided.
An application for prediction of stable and metastable structures from a chemical composition. This application applies the revolutionary algorithm to structure prediction by using various external energy calculators (VASP, GULP, Quantum Espresso, CASTEP).