Re: [Rdkit-discuss] Error reading SDF dataset from BindingDB

2023-07-25 Thread Ling Chan
Interesting. Thanks Rafael. So it's a bug of BindingDB. Perhaps you should let them know too. Ling Rafael L via Rdkit-discuss 於 2023年7月25日週二 上午12:53寫道: > Hi, I'm just creating this thread to get the problem and the solution > indexed by Google > > I downloaded several SDF datasets from

[Rdkit-discuss] Error reading SDF dataset from BindingDB

2023-07-25 Thread Rafael L via Rdkit-discuss
Hi, I'm just creating this thread to get the problem and the solution indexed by Google I downloaded several SDF datasets from BindingDB and got errors like this one when using Chem.SDMolSupplier: ERROR: Cannot convert 1. to unsigned int After some digging I found [