Open nedtaylor opened 5 months ago
Implement the generalised form of message passing neural networks, as detailed in "Neural Message Passing for Quantum Chemistry" by Gilmer et al.
https://dl.acm.org/doi/10.5555/3305381.3305512
Implement at least one exact method of message passing neural network to show functionality and how others can extend it themselves.
This does require adding dependency of the library to a graph derived type module, which should be distinct from athena.
Implement the generalised form of message passing neural networks, as detailed in "Neural Message Passing for Quantum Chemistry" by Gilmer et al.
https://dl.acm.org/doi/10.5555/3305381.3305512
Implement at least one exact method of message passing neural network to show functionality and how others can extend it themselves.
This does require adding dependency of the library to a graph derived type module, which should be distinct from athena.