GitHub - dkoes/Open-Source-Molecular-Modelling

Branches Tags

About

No description or website provided.

chemistry computational-chemistry molecular-modeling

Activity

14 stars

5 watching

4 forks

Report repository

Releases

No releases published

Packages

No packages published

Name		Name	Last commit message	Last commit date
Latest commit History 1,990 Commits
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

dkoes/Open-Source-Molecular-Modelling

Folders and files

Latest commit

History

About

Topics

Stars

Watchers

Forks

Languages