As I understand it, the pandas CSV parsing can handle it automatically when
it makes the DataFrame, so it would effectively handle this approach
without intervention. it's just a case of standardisation, although if it
wasn't for the fact I don't really want to rewrite the file without the
quotes,
I think you have to add a step that removes the quote marks if they are
present?
Tim
On Mon, Jan 10, 2022 at 10:15 AM James Wallace wrote:
> As the subject suggests, I'm trying to find a universal solution for
> reading CSVs via the SmilesMolSupplier (as the input setup could be single
> column
I figured as much, and I guess in my case the pandas side will be useful
enough for this, thanks.
On Mon, 10 Jan 2022 at 14:05, Greg Landrum wrote:
> Hi James,
>
> The RDKit does not have a full-featured CSV parser, writing such a thing
> is a non-trivial task. If you need to support general CSV
Hi James,
The RDKit does not have a full-featured CSV parser, writing such a thing is
a non-trivial task. If you need to support general CSV, I'd suggest using
pandas or python's builtin csv module... it seems like overkill, but
dealing with all the oddness that can show up in CSVs is really not e
As the subject suggests, I'm trying to find a universal solution for
reading CSVs via the SmilesMolSupplier (as the input setup could be single
column or multiple column, using the pandas tools for interconversion is
overkill)
The general structure I use for analysing the CSV is:
with open(chem_
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