volkamerlab / opencadd

A Python library for structural cheminformatics

https://opencadd.readthedocs.io

MIT License

89 stars 18 forks source link

Reaching alpha #33

Closed jaimergp closed 4 years ago

jaimergp commented 4 years ago

Description

The academic project has finished (thanks to the excellent students that contributed!), but there's still some work to do to reach a fully functional alpha stage. I am going to tackle that here.

Todos

[X] Rename to superposer
[ ] Update readthedocs subdomain (or revamp docs CI)
[ ] All tests are passing
[ ] Report superposed structures reliably

Status

[ ] Ready to go

jaimergp commented 4 years ago

I think this is enough to put out an early alpha so we can merge TeachOpenCADD... I am going to test a few things first, but looking promising.

jaimergp commented 4 years ago

Heh, those few things were quite the ride. This is good enough to allow us to merge https://github.com/volkamerlab/TeachOpenCADD/pull/10, so this is going to master soon!

codecov-io commented 4 years ago

Codecov Report

Merging #33 into master will not change coverage. The diff coverage is n/a.