├── GA_rediscover.py ├── README.md ├── data ├── struct_pres.png └── triplets.pickle ├── generalized_path.py ├── path_logP_QED.py ├── readme_docs └── fig_main_algo.png ├── realize_path.py ├── sim_search.py └── stoned_selfies_tut.ipynb /GA_rediscover.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/GA_rediscover.py -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/README.md -------------------------------------------------------------------------------- /data/struct_pres.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/data/struct_pres.png -------------------------------------------------------------------------------- /data/triplets.pickle: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/data/triplets.pickle -------------------------------------------------------------------------------- /generalized_path.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/generalized_path.py -------------------------------------------------------------------------------- /path_logP_QED.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/path_logP_QED.py -------------------------------------------------------------------------------- /readme_docs/fig_main_algo.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/readme_docs/fig_main_algo.png -------------------------------------------------------------------------------- /realize_path.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/realize_path.py -------------------------------------------------------------------------------- /sim_search.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/sim_search.py -------------------------------------------------------------------------------- /stoned_selfies_tut.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/aspuru-guzik-group/stoned-selfies/HEAD/stoned_selfies_tut.ipynb --------------------------------------------------------------------------------