Made for the Learning biological properties of molecules from their structure challenge by Simulations Plus.
The data files are expected to be saved to a data folder at the root of this folder.
The main code is contained in experiments.ipynb.
Made for the Learning biological properties of molecules from their structure challenge by Simulations Plus.
The data files are expected to be saved to a data folder at the root of this folder.
The main code is contained in experiments.ipynb.