EXPLORATION is ALL You Need
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Ph.D. Student in Theo.&Comput. Chemistry<p|q>
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East China Normal University @ECNU
- ShangHai
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09:56
(UTC +08:00) - @Ninggu15Gu
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Neural-Network-Models-for-Chemistry
Neural-Network-Models-for-Chemistry PublicA collection of Nerual Network Models for chemistry
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pyqeq.py
pyqeq.py 1import numpy as np
2from scipy.special import erf
34def get_parameters(qeqfile):
5eV = 3.67493245e-2
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