FreeSolv:
fingerprints:column: expt, 
mean R^2: 0.7204 +- 0.0112, mean RMSE: 2.0442 +- 0.0559, mean MAE: 1.4029 +- 0.0236
, mean CRPS: 2.1120 +- 0.0303

column: calc, 
mean R^2: 0.7268 +- 0.0066, mean RMSE: 2.1941 +- 0.0390, mean MAE: 1.5095 +- 0.0205
, mean CRPS: 2.3323 +- 0.0291

