Hi Zhenting,
you mean sort by a property value?
For example, this would sort your list by decreasing value of the
ACTIVITY property (e.g., assuming it is a pIC50):
mol_list.sort(key=lambda m: float(m.GetProp("ACTIVITY")), reverse=True)
Cheers,
p.
On 03/04/2020 16:38, Zhenting Gao wrote:
Hi,
I create a list of mol objects, now I want to sort these mol objects,
so that I can save the top 100 mols into an SDF file.
Could you help?
Best
Zhenting
4/3/2020
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