Lin Min Htoo
Lin Min Htoo
Okay, so as per my suspicion, I loaded `Dinaciclib` directly from SMILES, and it runs fine now... so I guess it wasn't happy with something in the `sdf` file provided...
hi, i am also interested in this. did you find any solution?
Hello @avnikonenko thanks for your prompt response. I tried what you suggested, and now RDKit can parse the molecule from PDBBlock. Still, it fails when I try to assign the...
I also took a look at the `meeko` issue you linked, and actually, their method is much more robust, I think. It actually worked for me :D ```python from meeko...
Bumping this once again as it is such a lovely and useful feature of Jupyter Notebooks
hello, may I enquire on the status of this? this is a much needed feature for my use-case, and I'll be happy to help if possible
what's happening here?
gdrive-linux-amd64 works perfectly on the Centos7 HPC cluster at my university :) Thanks for the awesome work for the community! Cheers and happy new year. To sum up for anyone...
> I'm unable to run gdrive on linux: > > ``` > ./gdrive > bash: ./gdrive: No such file or directory > ``` > > Do I need anything else...
hello @VincentBt , sorry for my late reply. i've since graduated and am working full-time, so I've not been checking these repos as regularly. please feel free to message me...