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Open Babel is a chemical toolbox designed to speak the many languages of chemical data.
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
In-browser falling-sand simulation game with over 500 elements and thousands of reactions.
An interactive Periodic Table of Elements app for the console!
OPEM (Open Source PEM Fuel Cell Simulation Tool)
:triangular_ruler: Orthogonal polynomials in all shapes and sizes.
Proton Exchange Membrane (PEM) Fuel Cell Dataset
Single DBFC Dataset