Wolfram Research

GDB-9 Database

Database of molecular quantum calculations

Pitt Quantum Repository

The Pitt Quantum Repository is a database and website of molecular quantum calculations, including visualization


virtual exploratory heterocyclic library

Sample Data: Stackloss Plant

Brownlee's stack loss plant data.

Sample Data: Formaldehyde Statistics

Formaldehyde concentration analysis obtained in a chemical experiment.

Sample Data: Puromycin Reaction Velocity

Velocities of enzymatic reactions with or without Puromycin.

NCI Standard Anticancer Agents

Dataset of the NCI standard anticancer agents

SWEETLEAD Molecule Database

A cheminformatics database of medicines, drugs, and herbal isolates

Repurposing Therapeutics for COVID-19

Vina Docking scores for drug molecules with the S-protein of SARS-CoV-2 and human human ACE2 receptor

Sample Data: Mercury Vapor Pressure

Relation of mercury vapor pressure vs temperature.

Hansen Solubility Parameters

Hansen solubility parameters for 211 common solvents

Linear Codes

Linear codes provide an optimal way for transmitting blocks of data over noisy channels

Sample Data: Yellowstone Geothermal Features

Locations of some geothermal features and geysers in the Yellowstone National Park