PANDAT is a software tool used in the fields of materials science and engineering, specializing in the calcula…read more
List of DB/tools
PHYSBO
PHYSBO is a Python library for fast and scalable Bayesian optimization. It is useful for finding combinations …read more
PolyInfo
Polyinfo is a database that contains fundamental data related to the design of polymeric materials. It is prov…read more
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
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
RNAPSEC (RNA Phase Separation with detailed Experimental Conditions)
RNAPSEC (RNAPhaSep with detailed Experimental Conditions) is a dataset designed to predict conditions under wh…read more