Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Jump to bottom

Undocumented behavior when processing excel files #243

Open
JacksonBurns opened this issue Feb 5, 2023 · 0 comments
Open

Undocumented behavior when processing excel files #243

JacksonBurns opened this issue Feb 5, 2023 · 0 comments
Assignees
@himaghna
Labels
documentation Improvements or additions to documentation
Milestone
AIMSim v2.x

Comments

@JacksonBurns
Copy link
Member

As shown in the source code for MoleculeSet, name and descriptor columns are expected to be prefixed in a very particular way, but this is not stated in the documentation.

I suggest that we either add these requirements to the documentation, or devise a more general way to ingest data.
@JacksonBurns JacksonBurns added the documentation Improvements or additions to documentation label Feb 5, 2023
@JacksonBurns JacksonBurns added this to the AIMSim v2.x milestone Feb 7, 2023
Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Assignees

@himaghna himaghna

Labels
documentation Improvements or additions to documentation
Projects
None yet
Milestone
AIMSim v2.x
Development

No branches or pull requests
2 participants
@JacksonBurns @himaghna