aspuru-guzik-group/Tartarus
A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
Python
Issues
- 2
About the datasets/docking.csv
#12 opened by Lyu6PosHao - 9
Performance Metrics Docking Tasks
#9 opened by Jonas-Verhellen - 7
Reproducibility
#11 opened by hyeonahkimm - 3
- 6
Dataset for Surrogate Models
#6 opened by ftherrien - 1
Dataset units
#2 opened by mhellstr - 3