I suggest we use a system generated unique ID as the primary key and SMILES Strings as an optional queryable file.
Yes a call to demonstrate is fine. Let's coordinate on a time on Airavata slack channel. Suresh > On Jun 20, 2022, at 10:22 AM, Pamidighantam, Sudhakar V > <spami...@illinois.edu> wrote: > > Bhavesh: > > We need to pick a primary key. SMILES string could be a good one but is not > absolutely needed to be. Also sometimes it is difficult to auto-generate > SMILES strings for molecules. We can choose another one such as name but we > need to consistently and uniquely use the name across data models. > The filtering should get all the records and we can have pagination to > control how many are shown. Some options in the filters could include ranges > for example, Absorption Max between 500-560nm. > > Thanks, > Sudhakar. > From: Bhavesh Asanabada <asanabhav...@gmail.com > <mailto:asanabhav...@gmail.com>> > Date: Monday, June 20, 2022 at 9:16 AM > To: dev@airavata.apache.org <mailto:dev@airavata.apache.org> > <dev@airavata.apache.org <mailto:dev@airavata.apache.org>> > Subject: Re: SMILES Proto Schema > > Hi Sudhakar, > > I have a few doubts; > I don't find the primary key (the SMILES string) in other proto files. Do I > need to include it and access the data with the SMILES string? > In the filtering options, Are there any predefined thresholds for the > quantities? > I also request to have a meeting to confirm with my SMILES query code. > > Thanks & Regards > Bhavesh Asanabada
