Description:apax is a high-performance, extendable package for training of and inference with atomistic neural networks.
It implements the Gaussian Moment Neural Network model [2, 3].
It is based on JAX and uses JaxMD as a molecular dynamics engine.
[x] I have not modified the README.md file. Projects are only supposed to be added or updated within the projects.yaml file since the README.md file is automatically generated.
What kind of change does this PR introduce?
Description:
apax
is a high-performance, extendable package for training of and inference with atomistic neural networks. It implements the Gaussian Moment Neural Network model [2, 3]. It is based on JAX and uses JaxMD as a molecular dynamics engine.Checklist:
README.md
file. Projects are only supposed to be added or updated within theprojects.yaml
file since theREADME.md
file is automatically generated.