Index of /dataset/


../
000 README General purpose Chemistry database a..> 27-Oct-2020 18:38     21K
0001-eju6_1603807172900.csv                        27-Oct-2020 16:07     97K
1K_SMILES_strings.txt                              27-Oct-2020 16:10     37K
1K_SMILES_strings_charges.txt                      27-Oct-2020 16:10    2998
1K_augmented_icosahedron_list.npy                  27-Oct-2020 16:08    439M
1K_list_augmented_div1.hdf5                        27-Oct-2020 16:08     59M
1K_list_augmented_div2.hdf5                        27-Oct-2020 16:08    224M
1K_list_augmented_div3.hdf5                        27-Oct-2020 16:10    883M
1K_list_div1.hdf5                                  27-Oct-2020 16:10   1019K
1K_list_div2.hdf5                                  27-Oct-2020 16:10      4M
1K_list_div3.hdf5                                  27-Oct-2020 16:10     15M
1M_SMILES_strings.txt                              27-Oct-2020 16:21     45M
1M_SMILES_strings_charges.txt                      27-Oct-2020 16:21      3M
1M_augemented_list.hdf5                            27-Oct-2020 16:15      3G
1M_augmented_list.hdf5                             27-Oct-2020 16:21      3G
Catalan.xls                                        27-Oct-2020 16:21    148K
DeepChemDatasets.pdf                               27-Oct-2020 16:21     80K
IDData.csv                                         27-Oct-2020 16:24     87K
Laurence.csv                                       27-Oct-2020 16:24     30K
Laurence.xls                                       27-Oct-2020 16:24    342K
Laurence.xlsx                                      27-Oct-2020 16:24     38K
NMR-15250165-3D-structure-CT1009179930.sdf         27-Oct-2020 16:24    3905
Solvent selection for Ella.xlsx                    27-Oct-2020 16:24    152K
SolventCG.csv                                      27-Oct-2020 16:24    218K
SolventDataForOmniChem.xlsx                        27-Oct-2020 16:24    799K
SolventDataFromMarcus.docx                         27-Oct-2020 16:24      2M
coffee.zip                                         27-Oct-2020 16:21      2M
create_dataset.py                                  27-Oct-2020 16:21     17K
gaussian_input_files.tar.gz                        27-Oct-2020 16:21     49M
gaussian_output_files.tar.gz                       27-Oct-2020 16:24      2G
structures.zip                                     27-Oct-2020 16:24     46M
~$ADME General purpose Chemistry database and i..> 27-Oct-2020 16:24     162