Skip to content
View dralgroup's full-sized avatar

Block or report dralgroup

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.

Maximum 250 characters. Please don't include any personal information such as legal names or email addresses. Markdown supported. This note will be visible to only you.
Report abuse

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

Report abuse

Popular repositories Loading

  1. mlatom mlatom Public

    AI-enhanced computational chemistry

    Python 118 17

  2. MLinQCbook22 MLinQCbook22 Public

    28 10

  3. omni-p2x omni-p2x Public

    OMNI-P2x: A universal neural network potential for excited states

    Jupyter Notebook 12 1

  4. aio-ani aio-ani Public

    All-in-one ANI network and models

    Python 5

  5. al-namd al-namd Public

    Active learning for nonadiabatic molecular dynamics

    2

  6. MLinQCbook22-NN MLinQCbook22-NN Public

    Jupyter Notebook 1