Skip to content
View andrrizzi's full-sized avatar
  • Forschungszentrum Juelich / Italian Institute of Technology
  • Genova, ITALY
Block or Report

Block or report andrrizzi

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.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, 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


  1. tfep tfep Public

    A library to perform targeted free energy perturbation with normalizing flows.

    Python 7 1

  2. choderalab/openmmtools choderalab/openmmtools Public

    A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

    Python 234 75

  3. luigibonati/mlcolvar luigibonati/mlcolvar Public

    A unified framework for machine learning collective variables for enhanced sampling simulations

    Python 77 18

  4. choderalab/yank choderalab/yank Public

    An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

    Python 171 69

  5. openforcefield/openff-toolkit openforcefield/openff-toolkit Public

    The Open Forcefield Toolkit provides implementations of the SMIRNOFF format, parameterization engine, and other tools. Documentation available at

    Python 292 85

  6. choderalab/software-development choderalab/software-development Public

    A primer on software development best practices for computational chemistry

    250 76