This blog shows you step by step process of building a documentation site using the open-source frame Docusaurus.
Here we have a few sets of codes that you can use to find chemical SMILES strings (structures) if you already know the CAS numbers or the names of your chemicals. Although there are many sources available for us to get SMILES strings, mostly they will not cover all your chemicals if you have a lot. In such cases, checking multiple sources/databases becomes necessary.
This tutorial has also been uploaded in our GitHub page at: https://github.com/Aropha/get-chemical-smiles-by-cas-or-name, where you can also download additional files for your needs.
Step by step guidance for setting up the flask on DreamHost for web app deployment. These steps are valid for both Shared Website Hosting and Virtual Private Server. This content has also been uploaded in our GitHub page at: https://github.com/Aropha/dreamhost-flask-project-setup, where you can also download all the related files that are created by following this tutorial.
We are happy to announce the collaborative project ChemAI at https://www.chemai.aropha.com/ with Prof. Huichun Zhang's research group at Case Western Reserve University, Cleveland, OH.
We successfully launched our new site https://www.ai.aropha.com/ for our machine learning models. Two models have been deployed on this site for aquatic biodegradation prediction using regression and classification based on XGBoost.
We just launched our GitHub page at https://github.com/Aropha to host our open-source contents. Our machine learning models and other programing contents such as automation and web app deployment will be published on this site.