Pipeline corrections - Githubissues

sonjaleo / KinFragLib

Kinase-focused fragment library

MIT License

1 stars 0 forks source link

Pipeline corrections #17

Closed sonjaleo closed 2 years ago

sonjaleo commented 2 years ago

Description

small corrections in pipeline notebook

Todos

[x] remove fragments not passing the retrosynthesis
[x] add total column to output number of fragments passing

Status

[x] Ready to go