-
Update the following URL to point to the GitHub repository of
the package you wish to submit to _Bioconductor_
- Repository: https://github.com/sipss/AlpsNMR
Confirm the following by editing ea…
-
http://purl.obolibrary.org/obo/CHEBI_29067 carboxylic acid anion
Has "Net Charge" of -1
However, this is a superclass of
http://purl.obolibrary.org/obo/CHEBI_35753 tricarboxylic acid anion
…
-
https://iwatobipen.wordpress.com/
-
[test.txt](https://github.com/oddt/oddt/files/4696800/test.txt)
I am calculating electroshape FPs for the attached molecule (3D sdf). Calculated FPs seems to change from version 0.5 to 0.7 of your …
-
I will like to request that AmberMD (http://ambermd.org/) as a package be part of the compchem galaxy tools. It provides special features for nucleic acid simulation.
Thanks
-
**Is your feature request related to a problem? Please describe.**
It would be useful for the toolkit to support creating `Molecule` objects from [InChI](https://iupac.org/who-we-are/divisions/divisi…
-
-
Update the following URL to point to the GitHub repository of
the package you wish to submit to _Bioconductor_
- Repository: https://github.com/pmoulos/metaseqR2
Confirm the following by editin…
-
I am not using webchem actively and I can't bring up the time that webchem deserves anymore.
I am looking for a maintainer & developer to take over.
@sckott, do you know of anybody from the ropens…
-
https://chem.libretexts.org/Courses/University_of_Arkansas_Little_Rock/ChemInformatics_(2017)%3A_Chem_4399%2F%2F5399