Travis Kessler, PhD

Hi @shenglisa, I've never seen an error like that before, I'll have to punt the question to someone else. I can tell you, however, that this error originates in PaDEL-Descriptor's...

Hi @AnjaliSetiya, The source code for PaDEL-Descriptor, while open source, is written in Java which, I will not lie, is not a language I have much experience with. I'm going...

Hi @naeemmrz, Not sure what's going on here... the arguments for generating 3D descriptors and converting to 3D *should* be passed via the command line to PaDEL, with: ```python if...

@dinabandhu50 still having issues with this? The underlying descriptor calculations are a bit outside my wheelhouse...

Hi @maclandrol, Very nice catch, I had not considered this use case. Just a few comments before we merge: - Please update the version, we'll release this as 0.1.12 (versioning...

Finally getting around to this - keep me posted on updates regarding Conda!

Hey @merritjm, I'm not too familiar working with peptide sequences - what is the SMILES string that rdkit.Chem.MolToSmiles generates? Travis Edit: in other words, what is the value of "string"?

@gwbischof, I like the idea of ditching the `plemmy.responses` objects. I've been on the fence about them since they were implemented, and while I understand their necessity in JS/TS, they...

Thinking/typing out loud here... what if, for PyMongo-like indexing, we only perform a query _when we need to_: ```python class LemmyHttp: def __getitem__(self, key: str) -> plemmy.objects.Community: return self.get_community(name=key, as_http=False)...

I've laid the groundwork for returning `plemmy.objects` objects: https://github.com/tjkessler/plemmy/commit/8e03e2ac90c37c564fc6e833d760a4bcb5d612f6 Also updated is the `create_form` utility function to exclude `as_http` arguments from form creation: https://github.com/tjkessler/plemmy/commit/556b4226bd9301e130c5c63f9f641c8a0cc101f4 I imagine we'll want to keep...