Compatibility with latest networkx and pandas

mordred-descriptor / mordred

a molecular descriptor calculator

http://mordred-descriptor.github.io/documentation/master/

BSD 3-Clause "New" or "Revised" License

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Compatibility with latest networkx and pandas #90

Open mkrompiec opened 3 years ago

mkrompiec commented 3 years ago

Fixes Issue #84 and Issue #80

FanwangM commented 2 years ago

Thank you for the work on this.

Is this problem going to be fixed? Now the nextworkx has upgraded into 2.7.1. I think it would be good to have mordred compatible with the latest version of networkx, which potentially resolves a lot of problems. Thank you.

I would love to help, but I don't have the access to merge the PRs.

@philopon @UnixJunkie @hirotomo-moriwaki @mkrompiec

Kastakin commented 1 year ago

This would be really useful to my research group, I would love to see it merged into main! :)

JacksonBurns commented 11 months ago

@mkrompiec @Kastakin I have cherry-picked these changes over on mordred-community and released an updated package on PyPI: pip install mordredcommunity