Timo Leistner

Results 16 comments of Timo Leistner

I've also noticed, and I think this might be correlated, that after sending an indented line to the repl, somehow the following visual_send is shifted in the selection. Example in...

I also get the following error by visually selecting a chunk and writing `ctr` ``` E5108: Error executing lua ...nvim/site/pack/packer/start/iron.nvim/lua/iron/marks.lua:33: end _line value outside range ``` This only happens if...

The [documentation](https://biojulia.net/BioAlignments.jl/stable/pairalign/#Operations-on-pairwise-alignment-1) mentions these ```Julia LongDNASeq([x for (x, _) in aln]) # create aligned `s1` with gaps LongDNASeq([y for (_, y) in aln]) # create aligned `s2` with gaps ```...

The above mentioned gives you the gapped strings, to obtain the original sequences again you can do `aln.a.seq` and `aln.b`. I agree that some convenience functions would be nice though.

Adding to @hhaensel's comment, with openbabel_jll one can use the [ExecutableProduct](https://docs.binarybuilder.org/stable/jll/#ExecutableProduct), removing the overhead of calling an external program: ```Julia using openbabel_jll inchi = "InChI=1/C2H6O/c1-2-3/h3H,2H2,1H3" smiles = rstrip(readchomp(`$(obabel()) -:$inchi -i...

It seems like you try to load an SDF file which contains 100k molecules (assumption made from the name of the file). The molecule block you posted does not seem...

> Hi, Have you find out what caused it? I am facing the same problem right now Could you post the molecule block from the SDF file please?

I am also getting InexactError no matter what type of matrix X or metric I use. ```Julia X = rand([0, 1], 1000, 2000) embedding = umap(X, 3) ``` ```Error InexactError:...

@ryanbyon's approach gave me the same result with squarebrackets. When I try to add @aborzunov's command to my .vimrc it gives the following error `Error detected while processing FileType Autocommands...

There is also the [RDKitMinimalLib wrapper](https://github.com/eloyfelix/RDKitMinimalLib.jl) which has a different mol object of course. A function which translates these mol objects into MolecularGraph mol objects would solve https://github.com/mojaie/MolecularGraph.jl/issues/72 and https://github.com/mojaie/MolecularGraph.jl/issues/67...