saeid-lab
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Neural-Network-Models-for-Chemistry Public
Forked from Eipgen/Neural-Network-Models-for-ChemistryA collection of Nerual Network Models for chemistry
UpdatedSep 20, 2024 -
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Handy_tools_for_lammps Public
Handy tools for lammps
Python GNU General Public License v3.0 UpdatedFeb 1, 2023 -
freqcry Public
Forked from erwanandre-UL/freqcryReads Crystal17 output and creates IR and Raman Spectra
Jupyter Notebook UpdatedMar 9, 2022 -
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TIP4P-Lammps Public
An example of TIP4P water box in lammps
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Get_Shibainu_price Public
Get shibainu price
Python GNU General Public License v3.0 UpdatedAug 25, 2021 -
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ethane-dihedral Public
Ethane dihedral Scan Using ASE
Jupyter Notebook MIT License UpdatedApr 9, 2020 -
Freq2FC Public
Converting vibrational frequencies to force constant
Jupyter Notebook GNU General Public License v3.0 UpdatedMar 5, 2020 -
ANI-ASE Public
A Simple code for calculating Energy, Frequencies, Thermochemistry and Optimization
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NNP Public
my thesis code for NNP
Jupyter Notebook GNU General Public License v3.0 UpdatedFeb 22, 2020