Skip to content
View frgoe003's full-sized avatar

Highlights

  • Pro

Block or report frgoe003

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Content in all repositories owned by your account will be closed.
Maximum 250 characters. Please don’t include any personal information such as legal names or email addresses. Markdown is supported. This note will only be visible to you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
frgoe003/README.md

Pinned Loading

  1. tummfm/chemtrain tummfm/chemtrain Public

    Training Neural Network potentials through customizable routines in JAX.

    Python 73 8

  2. ACEsuit/mace-jax ACEsuit/mace-jax Public

    Equivariant machine learning interatomic potentials in JAX.

    Python 111 27

  3. plinder-org/plinder plinder-org/plinder Public

    Protein Ligand INteraction Dataset and Evaluation Resource

    Python 307 23

  4. tummfm/CG-Bench tummfm/CG-Bench Public

    Testing different CG mappings with classical and machine learning potentials.

    Jupyter Notebook 7 1

  5. cheminformer cheminformer Public

    Python 5 1