diff --git a/contents/tools.md b/contents/tools.md index a7ff69f..d0c7530 100644 --- a/contents/tools.md +++ b/contents/tools.md @@ -1,112 +1,81 @@ - - - - - - G. Zhao's Development Portfolio - - -

G. Zhao's Development Portfolio

- +# G. Zhao's Development Portfolio -

Useful Tools

- - - +- [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) \ No newline at end of file