List of DB/tools

A B C D E F G H I J K L M N O P Q R S T U V W X Y Z

Polymer Property Predictor and Database

Polymer Property Predictor and Database is a data resource developed to support polymer informatics by providiread more

Protein Data Bank (PDB)

The Protein Data Bank (PDB) is a database of 3D structural data and metadata for biological macromolecules (prread more

PubChem

PubChem is a free database that provides information on chemical substances, biological activities, and chemicread more

PubChemQC

PubChemQC is a database specialized in the optimization of chemical structures, constructed based on quantum cread more

pyiron

pyiron is an integrated development environment (IDE) for computational materials science that unifies complexread more

pymatgen

Pymatgen is an open-source Python library for materials analysis, with connectivity to external data sources sread more

PyTorch

PyTorch is an open-source machine learning library designed for deep learning research and development. It wasread more

RadonPy

RadonPy is a Python library for fully automated calculation for a comprehensive set of polymer properties, usiread more

RDE

RDE is a system that records materials research data in Japan and stores data in a structured form in the clouread more

RDKit

RDKit is an open-source library developed to support cheminformatics and molecular modeling. Implemented in C+read more