├── .gitignore ├── LICENSE ├── README.md ├── Session_1 ├── AI_in_Drug_Discovery_Workshop_Session1.pdf └── Session_1.ipynb ├── Session_2 ├── AI_in_Drug_Discovery_Workshop_Session2.pdf ├── AI_in_chemistry_workshop_session_2.ipynb └── activities-chembl_33-not-curated.zip ├── Session_3 ├── AI_in_Drug_Discovery_Workshop_Session3.pdf ├── SMILES_RNN.ipynb └── active_regression.ipynb ├── foo.py └── resources.md /.gitignore: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/.gitignore -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/README.md -------------------------------------------------------------------------------- /Session_1/AI_in_Drug_Discovery_Workshop_Session1.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/Session_1/AI_in_Drug_Discovery_Workshop_Session1.pdf -------------------------------------------------------------------------------- /Session_1/Session_1.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/Session_1/Session_1.ipynb -------------------------------------------------------------------------------- /Session_2/AI_in_Drug_Discovery_Workshop_Session2.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/Session_2/AI_in_Drug_Discovery_Workshop_Session2.pdf -------------------------------------------------------------------------------- /Session_2/AI_in_chemistry_workshop_session_2.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/Session_2/AI_in_chemistry_workshop_session_2.ipynb -------------------------------------------------------------------------------- /Session_2/activities-chembl_33-not-curated.zip: -------------------------------------------------------------------------------- 1 | 2 | -------------------------------------------------------------------------------- /Session_3/AI_in_Drug_Discovery_Workshop_Session3.pdf: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/Session_3/AI_in_Drug_Discovery_Workshop_Session3.pdf -------------------------------------------------------------------------------- /Session_3/SMILES_RNN.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/Session_3/SMILES_RNN.ipynb -------------------------------------------------------------------------------- /Session_3/active_regression.ipynb: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/Session_3/active_regression.ipynb -------------------------------------------------------------------------------- /foo.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/foo.py -------------------------------------------------------------------------------- /resources.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/volkamerlab/ai_in_chemistry_workshop/HEAD/resources.md --------------------------------------------------------------------------------