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  1. Machine Learning Calculations Driver to emulate DFT calculations using machine learned predictive models

    Python 2 1

  2. Scripts pour les calculs de phonons et de spectres Raman

    Python 1 1

  3. New repo post BigDFT sur GitLab

    Fortran 1

  4. SchNetPack - Deep Neural Networks for Atomistic Systems

    Python 304 110

  5. Executables for the NEB project


178 contributions in the last year

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Contribution activity

April 2021

Opened 2 pull requests in 2 repositories
1 merged
1 merged

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