-
Notifications
You must be signed in to change notification settings - Fork 0
Commit
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
- Loading branch information
Showing
2 changed files
with
112 additions
and
81 deletions.
There are no files selected for viewing
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,81 +1,112 @@ | ||
| # G. Zhao's Development Portfolio | ||
| <!DOCTYPE html> | ||
| <html lang="en"> | ||
| <head> | ||
| <meta charset="UTF-8"> | ||
| <meta name="viewport" content="width=device-width, initial-scale=1.0"> | ||
| <title>G. Zhao's Development Portfolio</title> | ||
| </head> | ||
| <body> | ||
| <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> | ||
|
|
||
| - [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) | ||
| <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> |
This file contains bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters