Chemtrain is a collection of training algorithms to parametrize MD potentials. It builds on MD functionality provided by JAX MD and occasionally extends them. These extensions are gathered in the jax_md_mod module.
This documentation ist still in its infancey! In the next weeks and months, the documentation will be fully built.
chemtrain.neural_networks chemtrain.layers chemtrain.sparse_graph
chemtrain.jax_md_mod.custom_space
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