lanl/Architector
The architector python package - for 3D metal complex design. C22085
PythonNOASSERTION
Issues
- 0
Difficulty exporting .xyz files
#27 opened by madelinemarte - 2
[Minor bug] override_oxo_opt
#26 opened by espottesmith - 1
Syntax typo in inputDict example in README file
#25 opened by hkneiding - 1
Architector conformer limit
#24 opened by psingams - 3
'crest_sampling' energies
#23 opened by S1chemf - 2
How to generate complex with ethylene as ligand
#13 opened by iuhgnor - 4
- 2
meaning of "n_conformers" and “n_symmetries”
#18 opened by S1chemf - 3
Dealing with hapticity
#19 opened by Jonahowns - 1
Installation on apple silicon
#12 opened by lubbersnick