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<!DOCTYPE html>
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<meta charset="UTF-8">
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<title>G. Zhao's Development Portfolio</title>
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<h1>G. Zhao's Development Portfolio</h1>
<ul>
<li><a href="https://zenodo.org/records/14216942">CoRE MOF 2024 Database</a>, <a href="https://github.com/mtap-research/CoRE-MOF-Tools">Tools</a>, <a href="https://c931-164-125-221-129.ngrok-free.app/">Web Application (alpha version)</a> and <a href="https://pypi.org/project/CoRE-MOF/">pypi</a>.</li>
<li><a href="https://zenodo.org/records/14184621">CoRE MOF 2019 Database v2</a>.</li>
<li><a href="https://github.com/mtap-research/PACMAN-charge">PACMAN-charge</a>, <a href="https://pacman-charge-mtap.streamlit.app/">Web Application</a> and <a href="https://pypi.org/project/PACMAN-charge/">pypi</a>.</li>
<li><a href="https://pypi.org/project/SESAMI/">SESAMI pypi</a>.</li>
<li><a href="https://github.com/sxm13/H2-COF-functionalization">COF-H2-Project</a>.</li>
<li><a href="https://github.com/sxm13/GWP-project">GWP-Project</a> and <a href="https://gwp-web-mtap-pnu.streamlit.app/">Web Application</a>.</li>
<li><a href="https://github.com/sxm13/Xe-Kr-Separation-Project">Xe-Kr-Separation-Project</a>.</li>
</ul>
# G. Zhao's Development Portfolio

<h2>Useful Tools</h2>
<ul>
<li><strong>Adsorption Software</strong>
<ul>
<li><a href="https://github.com/iRASPA/RASPA2">RASPA2</a></li>
<li><a href="https://github.com/iRASPA/raspa3">RASPA3</a></li>
<li><a href="https://github.com/snurr-group/gRASPA">gRASPA</a></li>
<li><a href="https://github.com/peteboyd/lammps_interface/">Lammps-interface</a></li>
<li><a href="https://github.com/iRASPA/RUPTURA">RUPTURA</a></li>
<li><a href="https://sebygaa.github.io/pyAPEP/build/html/index.html">pyAPEP</a></li>
<li><a href="https://github.com/PEESEgroup/PSA">PSA</a></li>
<li><a href="https://github.com/CorySimon/pyIAST/">pyIAST</a></li>
<li><a href="https://sangwon91.github.io/IASTpp/">IAST++</a></li>
<li><a href="https://github.com/salrodgom/gaiast">gaIAST</a></li>
<li><a href="https://github.com/ClapeyronThermo/Langmuir.jl">Langmuir.jl</a></li>
</ul>
</li>
<li><strong>Partial Atomic Charges</strong>
<ul>
<li><a href="https://github.com/numat/EQeq">EQeq</a></li>
<li><a href="https://pubs.acs.org/doi/10.1021/acs.jpcc.0c01524">m-CBAC</a></li>
<li><a href="https://pubs.acs.org/doi/10.1021/acs.jctc.5b00037">EQeq+C</a></li>
<li><a href="https://github.com/SimonEnsemble/mpn_charges">MPNN-Charge</a></li>
<li><a href="https://github.com/snurr-group/pacmof">PACMOF v1</a> and <a href="https://github.com/snurr-group/pacmof2">PACMOF v2</a></li>
<li><a href="https://github.com/uowoolab/MEPO-ML">MEPO-ML</a></li>
<li><a href="https://sourceforge.net/projects/ddec/files/">DDEC</a></li>
<li><a href="https://github.com/uowoolab/REPEAT-Assigner">REPEAT</a></li>
</ul>
</li>
<li><strong>Texture Properties</strong>
<ul>
<li><a href="http://www.zeoplusplus.org/">zeo++</a></li>
<li><a href="https://pygaps.readthedocs.io/en/master/">pygaps</a></li>
<li><a href="https://github.com/JelfsMaterialsGroup/pywindow">pywindow</a></li>
<li><a href="http://www.nldft.com/download/">SAIEUS</a></li>
<li><a href="https://progs.coudert.name/topology">CrystalNets</a></li>
<li><a href="http://rcsr.anu.edu.au/nets">Topology</a></li>
</ul>
</li>
<li><strong>DFT Tools</strong>
<ul>
<li><a href="https://galore.readthedocs.io/en/latest/readme.html#documentation">XPS</a></li>
<li><a href="https://github.com/raman-sc/VASP">Raman</a></li>
<li><a href="https://github.com/henniggroup/VASPsol">VASPsol</a></li>
</ul>
</li>
<li><strong>Cute Icons</strong>
<ul>
<li><a href="https://www.webfx.com/tools/emoji-cheat-sheet/">markdown emoji</a></li>
<li><a href="https://www.flaticon.com/animated-icons">Animated Icons</a></li>
<li><a href="https://thenounproject.com/">Ion figs</a></li>
</ul>
</li>
<li><strong>Convert</strong>
<ul>
<li><a href="https://www.colby.edu/chemistry/PChem/Hartree.html">Unit Convert</a></li>
<li><a href="https://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html">Structure Format Convert</a></li>
</ul>
</li>
<li><strong>Build Tools</strong>
<ul>
<li><a href="https://github.com/tobacco-mofs/tobacco_3.0">tobacco</a></li>
<li><a href="https://github.com/lipelopesoliveira/pyCOFBuilder">pyCOFbulider</a></li>
<li><a href="http://mausdin.github.io/MOFsite/mofPage.html">MOFexplorer</a></li>
<li><a href="https://github.com/Sangwon91/PORMAKE">PROMAKE</a></li>
<li><a href="https://github.com/shivamrkparashar/pyCOSMOS">pyCOSMOS: Compartmentalization</a></li>
</ul>
</li>
<li><strong>Nanoporous Materials and Adsorption Database</strong>
<ul>
<li><a href="https://github.com/arosen93/QMOF">QMOF</a></li>
<li><a href="https://www.ccdc.cam.ac.uk/support-and-resources/downloads/">CSD MOF Set</a></li>
<li><a href="https://zenodo.org/records/13891643">ARC-MOF</a></li>
<li><a href="https://github.com/danieleongari/CURATED-COFs">CURATED COF</a></li>
<li><a href="https://github.com/core-cof/CoRE-COF-Database">CoRE COF</a></li>
<li><a href="https://www.iza-structure.org/databases/">IZA database</a></li>
<li><a href="https://adsorption.nist.gov/index.php#home">NIST Adsorption Data</a></li>
<li><a href="https://datahub.hymarc.org/dataset">HyMarc Adsorption Data</a></li>
<li><a href="https://www.kaylaiacovino.com/Petrology_Tools/Critical_Constants_and_Acentric_Factors.htm">Acentric_Factors</a></li>
</ul>
</li>
<li><strong>API</strong>
<ul>
<li><a href="https://dev.springernature.com/">Springer, Xml</a></li>
<li><a href="https://onlinelibrary.wiley.com/library-info/resources/text-and-datamining">Wiley, PDF</a></li>
<li><a href="https://dev.elsevier.com/">Elsevier, Xml</a></li>
<li><a href="https://developer.rsc.org/create-an-api-key">RSC, Html</a></li>
<li><a href="https://www.acs.org/events/all-events/rapid-delivery-of-api-enables-accelerated-ind-application-challenges-and-solutions.html">ACS, Xml</a></li>
</ul>
</li>
</ul>
</body>
</html>
- [CoRE MOF 2024 Database](https://zenodo.org/records/14216942), [Tools](https://github.com/mtap-research/CoRE-MOF-Tools), [Web Application (alpha version)](https://c931-164-125-221-129.ngrok-free.app/) and [pypi](https://pypi.org/project/CoRE-MOF/).
- [CoRE MOF 2019 Database v2](https://zenodo.org/records/14184621).
- [PACMAN-charge](https://github.com/mtap-research/PACMAN-charge), [Web Application](https://pacman-charge-mtap.streamlit.app/) and [pypi](https://pypi.org/project/PACMAN-charge/).
- [SESAMI pypi](https://pypi.org/project/SESAMI/).
- [COF-H2-Project](https://github.com/sxm13/H2-COF-functionalization).
- [GWP-Project](https://github.com/sxm13/GWP-project) and [Web Application](https://gwp-web-mtap-pnu.streamlit.app/).
- [Xe-Kr-Separation-Project](https://github.com/sxm13/Xe-Kr-Separation-Project).

# Useful Tools
* Adsorption Software
* [RASPA2](https://github.com/iRASPA/RASPA2)
* [RASPA3](https://github.com/iRASPA/raspa3)
* [gRASPA](https://github.com/snurr-group/gRASPA)
* [Lammps-interface](https://github.com/peteboyd/lammps_interface/)
* [RUPTURA](https://github.com/iRASPA/RUPTURA)
* [pyAPEP](https://sebygaa.github.io/pyAPEP/build/html/index.html)
* [PSA](https://github.com/PEESEgroup/PSA)
* [pyIAST](https://github.com/CorySimon/pyIAST/)
* [IAST++](https://sangwon91.github.io/IASTpp/)
* [gaIAST](https://github.com/salrodgom/gaiast)
* [Langmuir.jl](https://github.com/ClapeyronThermo/Langmuir.jl)

* Partial Atomic Charges
* [EQeq](https://github.com/numat/EQeq)
* [m-CBAC](https://pubs.acs.org/doi/10.1021/acs.jpcc.0c01524)
* [EQeq+C](https://pubs.acs.org/doi/10.1021/acs.jctc.5b00037)
* [MPNN-Charge](https://github.com/SimonEnsemble/mpn_charges)
* [PACMOF v1](https://github.com/snurr-group/pacmof) and [PACMOF v2](https://github.com/snurr-group/pacmof2)
* [MEPO-ML](https://github.com/uowoolab/MEPO-ML)
* [DDEC](https://sourceforge.net/projects/ddec/files/)
* [REPEAT](https://github.com/uowoolab/REPEAT-Assigner)

* Texture Properties
* [zeo++](http://www.zeoplusplus.org/)
* [pygaps](https://pygaps.readthedocs.io/en/master/)
* [pywindow](https://github.com/JelfsMaterialsGroup/pywindow)
* [SAIEUS](http://www.nldft.com/download/)
* [CrystalNets](https://progs.coudert.name/topology)
* [Topology](http://rcsr.anu.edu.au/nets)

* DFT Tools
* [XPS](https://galore.readthedocs.io/en/latest/readme.html#documentation)
* [Raman](https://github.com/raman-sc/VASP)
* [VASPsol](https://github.com/henniggroup/VASPsol)

* Cute Icons
* [markdown emoji](https://www.webfx.com/tools/emoji-cheat-sheet/)
* [Animated Icons](https://www.flaticon.com/animated-icons)
* [Ion figs](https://thenounproject.com/)

* Convert
* [Unit Convert](https://www.colby.edu/chemistry/PChem/Hartree.html)
* [Structure Format Convert](https://www.cheminfo.org/Chemistry/Cheminformatics/FormatConverter/index.html)

* Build Tools
* [tobacco](https://github.com/tobacco-mofs/tobacco_3.0)
* [pyCOFbulider](https://github.com/lipelopesoliveira/pyCOFBuilder)
* [MOFexplorer](http://mausdin.github.io/MOFsite/mofPage.html)
* [PROMAKE](https://github.com/Sangwon91/PORMAKE)
* [pyCOSMOS: Compartmentalization](https://github.com/shivamrkparashar/pyCOSMOS)

* Nanoporous Materials and Adsorption Database
* [QMOF](https://github.com/arosen93/QMOF)
* [CSD MOF Set](https://www.ccdc.cam.ac.uk/support-and-resources/downloads/)
* [ARC-MOF](https://zenodo.org/records/13891643)
* [CURATED COF](https://github.com/danieleongari/CURATED-COFs)
* [CoRE COF](https://github.com/core-cof/CoRE-COF-Database)
* [IZA database](https://www.iza-structure.org/databases/)
* [NIST Adsorption Data](https://adsorption.nist.gov/index.php#home)
* [HyMarc Adsorption Data](https://datahub.hymarc.org/dataset)
* [Acentric_Factors](https://www.kaylaiacovino.com/Petrology_Tools/Critical_Constants_and_Acentric_Factors.htm)

* API
* [Springer, Xml](https://dev.springernature.com/)
* [Wiley, PDF](https://onlinelibrary.wiley.com/library-info/resources/text-and-datamining)
* [Elsevier, Xml](https://dev.elsevier.com/)
* [RSC, Html](https://developer.rsc.org/create-an-api-key)
* [ACS, Xml](https://www.acs.org/events/all-events/rapid-delivery-of-api-enables-accelerated-ind-application-challenges-and-solutions.html)

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