muammar / ml4chem

ML4Chem: Machine Learning for Chemistry and Materials
https://ml4chem.dev
Other
92 stars 15 forks source link

Make the Data class universal #2

Open muammar opened 5 years ago

muammar commented 5 years ago

Data structure is quite important in machine-learning and in fact, it can represent a bottleneck as one has to iterate over the data points.

The Data class in mlchemistry, at least I hope, has to be done in a way that can interoperate with other backends and has to be designed to build data for more than neural networks (I support vector machines).