Training data for Python-based Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics (PyRAI2MD) machine learning photodynamics code. This dataset contains XYZ geometries with the S0, S1, a
Training data for Python-based Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics (PyRAI2MD) machine learning photodynamics code. This dataset contains XYZ geometries with the S0, S1, a
Training data for Python-based Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics (PyRAI2MD) machine learning photodynamics code. This dataset contains XYZ geometries with the S0, S1, a
Training data for Python-based Python Rapid Artificial Intelligence Ab Initio Molecular Dynamics (PyRAI2MD) machine learning photodynamics code. This dataset contains XYZ geometries with the S0, S1, a