From d30d739c7ae82b090370aba8deb13aefa69d4ac9 Mon Sep 17 00:00:00 2001 From: Guobin Zhao <53704568+sxm13@users.noreply.github.com> Date: Mon, 16 Dec 2024 04:09:40 +0900 Subject: [PATCH] fix tools --- contents/tools.md | 191 +++++++++++++++++++++++++++------------------- index.html | 2 +- 2 files changed, 112 insertions(+), 81 deletions(-) diff --git a/contents/tools.md b/contents/tools.md index d0c7530..a7ff69f 100644 --- a/contents/tools.md +++ b/contents/tools.md @@ -1,81 +1,112 @@ -# G. Zhao's Development Portfolio + + + + + + G. Zhao's Development Portfolio + + +

G. Zhao's Development Portfolio

+ -- [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 +

Useful Tools

+ + + diff --git a/index.html b/index.html index c8c848b..413a10d 100644 --- a/index.html +++ b/index.html @@ -154,7 +154,7 @@

AWARDS

-

 TOOLS

+

 TOOLS