Polymer Property Predictor and Database is a data resource developed to support polymer informatics by providi…read more
List of DB/tools
Protein Data Bank (PDB)
The Protein Data Bank (PDB) is a database of 3D structural data and metadata for biological macromolecules (pr…read more
PubChem
PubChem is a free database that provides information on chemical substances, biological activities, and chemic…read more
PubChemQC
PubChemQC is a database specialized in the optimization of chemical structures, constructed based on quantum c…read more
pyiron
pyiron is an integrated development environment (IDE) for computational materials science that unifies complex…read more
pymatgen
Pymatgen is an open-source Python library for materials analysis, with connectivity to external data sources s…read more
PyTorch
PyTorch is an open-source machine learning library designed for deep learning research and development. It was…read more
RadonPy
RadonPy is a Python library for fully automated calculation for a comprehensive set of polymer properties, usi…read more
RDE
RDE is a system that records materials research data in Japan and stores data in a structured form in the clou…read more
RDKit
RDKit is an open-source library developed to support cheminformatics and molecular modeling. Implemented in C+…read more