list | Page 5 of 7 | MatDaCs

Optuna

Optuna is a Python library designed to efficiently optimize hyperparameters. In data-driven science, such opti…続きを読む

PANDAT is a software tool used in the fields of materials science and engineering, specializing in the calcula…続きを読む

PHYSBO is a Python library for fast and scalable Bayesian optimization. It is useful for finding combinations …続きを読む

Polyinfo is a database that contains fundamental data related to the design of polymeric materials. It is prov…続きを読む

The Protein Data Bank (PDB) is a database of 3D structural data and metadata for biological macromolecules (pr…続きを読む

PubChem is a free database that provides information on chemical substances, biological activities, and chemic…続きを読む

PubChemQC is a database specialized in the optimization of chemical structures, constructed based on quantum c…続きを読む

Pymatgen is an open-source Python library for materials analysis, with connectivity to external data sources s…続きを読む

PyTorch is an open-source machine learning library designed for deep learning research and development. It was…続きを読む

RDE is a system that records materials research data in Japan and stores data in a structured form in the clou…続きを読む