Hi,
I'd like to access the list of bits set in an ECFP4 fp (at least their
indexes).
In other words, I'd like to access the list of bits which
are set in the very long bitstring corresponding to
an ECFP4 fp.
I would prefer to do this before this very long bitstring
is folded into a shorter one.
There's no memory overhead on the molecule class - it's unchanged. Let
me make the change on a branch for one of the classes, and we can chew
it over.
- Noel
On 7 February 2017 at 13:35, Koes, David wrote:
> I think this is most definitely the way to go if you can tolerate the API
> changes. T
