search

uiocompcat / tmcinvdes

Public repository for preprint "Deep Generative Model for the Dual-Objective Inverse Design of Metal Complexes"
MIT License
2 stars 0 forks source link

(8b -> 10) Sample ligands for optimization. #19

Closed tlinjordet closed 1 month ago

tlinjordet commented 2 months ago

Add Python and Bash scripts as planned.