Mapie is a Python package compatible with Scikit-learn. It provides conformal prediction methods for quantifyi…read more
List of DB/tools
Materials Project
Materials Project is a database site for computational information on known and predicted inorganic materials.…read more
Matlantis
Matlantis is an atomic-level simulator based on the cutting-edge Neural Network Potential (NNP), incorporating…read more
MatNavi
The NIMS Materials Database (MatNavi) is an integrated database system consisting of more than a dozen materia…read more
MDR
Materials Data Repository (MDR) is a data repository that collects and publishes literature, conference procee…read more
MInt System
MInt System is a software package developed by National Institute for Materials Science (NIMS) to predict the …read more
MoleculeNet
MoleculeNet is designed as a benchmark for machine learning methods focused on molecular properties, aiming to…read more
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