| license: cc-by-4.0 | |
| This is the first variant of the GC-EI-MS synthetic dataset generated by NEIMS and RASSP models from 4.8 million structures downloaded from ZINC. The overlap with version 2 is | |
| approximately 8k structures (negligible) |
| license: cc-by-4.0 | |
| This is the first variant of the GC-EI-MS synthetic dataset generated by NEIMS and RASSP models from 4.8 million structures downloaded from ZINC. The overlap with version 2 is | |
| approximately 8k structures (negligible) |