n2p2 is a software package that implements the Baylor-Parinello neural network potentials. n2p2 provides a com…read more
List of DB/tools
NIMS-OS
NIMS-OS (NIMS Orchestration System) is an open-source software that aims to easily create a closed loop in aut…read more
NIST Chemistry WebBook
The NIST Chemistry WebBook is a free online databse that provides detailed information on chemical substances,…read more
NOMAD
NOMAD is a data repository for the storage and retrieval of materials science data. Data from first-principles…read more
OpenCalphad
OpenCalphad is an open-source software used for calculating phase diagrams and thermodynamic properties of mat…read more
OpenFOAM
OpenFOAM (Open Field Operation and Manipulation) is an open-source computational fluid dynamics (CFD) software…read more
OPTIMADE
OPTIMADE is an API for accessing and interoperating with materials databases, allowing access to data through …read more
Optuna
Optuna is a Python library designed to efficiently optimize hyperparameters. In data-driven science, such opti…read more
Orange
Orange is an open-source, versatile data mining and machine learning tool equipped with an intuitive interface…read more
PANDAT
PANDAT is a software tool used in the fields of materials science and engineering, specializing in the calcula…read more