GitHub - dkoes/Open-Source-Molecular-Modelling

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bibliography		bibliography
figures		figures
Abstract.tex		Abstract.tex
GaussSum_is_a_GUI_application__.tex		GaussSum_is_a_GUI_application__.tex
The_Chemistry_Development_Kit_CDK__.tex		The_Chemistry_Development_Kit_CDK__.tex
WebChem_Viewer_is_a_simple__.tex		WebChem_Viewer_is_a_simple__.tex
begin_table_footnotesize_iflatexml_else__.tex		begin_table_footnotesize_iflatexml_else__.tex
begin_table_footnotesize_iflatexml_else__1.tex		begin_table_footnotesize_iflatexml_else__1.tex
begin_table_footnotesize_iflatexml_else__10.tex		begin_table_footnotesize_iflatexml_else__10.tex
begin_table_footnotesize_iflatexml_else__11.tex		begin_table_footnotesize_iflatexml_else__11.tex
begin_table_footnotesize_iflatexml_else__12.tex		begin_table_footnotesize_iflatexml_else__12.tex
begin_table_footnotesize_iflatexml_else__13.tex		begin_table_footnotesize_iflatexml_else__13.tex
begin_table_footnotesize_iflatexml_else__14.tex		begin_table_footnotesize_iflatexml_else__14.tex
begin_table_footnotesize_iflatexml_else__15.tex		begin_table_footnotesize_iflatexml_else__15.tex
begin_table_footnotesize_iflatexml_else__16.tex		begin_table_footnotesize_iflatexml_else__16.tex
begin_table_footnotesize_iflatexml_else__17.tex		begin_table_footnotesize_iflatexml_else__17.tex
begin_table_footnotesize_iflatexml_else__18.tex		begin_table_footnotesize_iflatexml_else__18.tex
begin_table_footnotesize_iflatexml_else__2.tex		begin_table_footnotesize_iflatexml_else__2.tex
begin_table_footnotesize_iflatexml_else__3.tex		begin_table_footnotesize_iflatexml_else__3.tex
begin_table_footnotesize_iflatexml_else__4.tex		begin_table_footnotesize_iflatexml_else__4.tex
begin_table_footnotesize_iflatexml_else__5.tex		begin_table_footnotesize_iflatexml_else__5.tex
begin_table_footnotesize_iflatexml_else__6.tex		begin_table_footnotesize_iflatexml_else__6.tex
begin_table_footnotesize_iflatexml_else__7.tex		begin_table_footnotesize_iflatexml_else__7.tex
begin_table_footnotesize_iflatexml_else__8.tex		begin_table_footnotesize_iflatexml_else__8.tex
begin_table_footnotesize_iflatexml_else__9.tex		begin_table_footnotesize_iflatexml_else__9.tex
citecount.py		citecount.py
citedist.pdf		citedist.pdf
cites		cites
develop.pdf		develop.pdf
header.tex		header.tex
layout.md		layout.md
licenses.pdf		licenses.pdf
local_build.py		local_build.py
makegraphs.py		makegraphs.py
paragraph_Toolkits_paragraph_Conformer_Generation__.tex		paragraph_Toolkits_paragraph_Conformer_Generation__.tex
posttitle.tex		posttitle.tex
preamble.tex		preamble.tex
scholar.py		scholar.py
section_Cheminformatics_Cheminformatics_involves_the__.tex		section_Cheminformatics_Cheminformatics_involves_the__.tex
section_Discussion_begin_figure_centering__.tex		section_Discussion_begin_figure_centering__.tex
section_Introduction_subsection_What_is__.tex		section_Introduction_subsection_What_is__.tex
section_Ligand_Dynamics_and_Free__.tex		section_Ligand_Dynamics_and_Free__.tex
section_Methods_We_organize_software__.tex		section_Methods_We_organize_software__.tex
section_Methods_We_organize_software__1.tex		section_Methods_We_organize_software__1.tex
section_QSAR_ADMET_Modeling_Quantitative__.tex		section_QSAR_ADMET_Modeling_Quantitative__.tex
section_Quantum_Chemistry_Quantum_mechanics__.tex		section_Quantum_Chemistry_Quantum_mechanics__.tex
section_Virtual_Screening_and_Ligand__.tex		section_Virtual_Screening_and_Ligand__.tex
section_Visualization_An_essential_component__.tex		section_Visualization_An_essential_component__.tex
subsection_2D_Desktop_Applications_Table__.tex		subsection_2D_Desktop_Applications_Table__.tex
subsection_Acknowledgements_We_are_grateful__.tex		subsection_Acknowledgements_We_are_grateful__.tex
subsection_Descriptor_Calculators_Table_ref__.tex		subsection_Descriptor_Calculators_Table_ref__.tex
subsection_Docking_and_Scoring_Table__.tex		subsection_Docking_and_Scoring_Table__.tex
subsection_Ligand_Based_Table_ref__.tex		subsection_Ligand_Based_Table_ref__.tex
subsection_Ligand_Design_AutoClickChem_cite__.tex		subsection_Ligand_Design_AutoClickChem_cite__.tex
subsection_Simulation_Software_Table_ref__.tex		subsection_Simulation_Software_Table_ref__.tex
subsection_Toolkits_Table_ref_chemtool__.tex		subsection_Toolkits_Table_ref_chemtool__.tex
subsection_textit_Ab_initio_Calcuation__.tex		subsection_textit_Ab_initio_Calcuation__.tex
title.tex		title.tex
usage.pdf		usage.pdf

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