Bruce

Father from RouletteWheelSelection is randomly chosen according to the probability, but the mother is just chosen as the one next to father, is it reasonable? I am a little bit...

Question about BacksolveAdjoint through SemiImplicitEuler solver

1

I am testing the adjoint method to calculate the gradients from a SemiImplicitEuler solver. I met errors when calculate the gradients using BacksolveAdjoint method. Here is a working example. It...

Example using JAX-MD

2

Hi PySAGES developers, first thank you again for the nice code! I've seen some codes regarding JAX-MD as backend simulator, but have not yet figured out how I could use...

Hi Frank, I am wondering if it is considered to use a tunable loss weights (as a function of epoch or something similar) for the energy and forces during the...

Run molecular dynamics with Jax-MD

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Thank the developers for the great MLFF! May I ask if there is any plan about using jax-md as MD simulator?