Test set data for SchNet-like models, but with...
URL: https://data.nrel.gov/system/files/236/1712697052-mol_test_uff.csv.gz
Test set data for SchNet-like models, but with the 3D geometry generated via DFT replaced by an approximate 3D structure optimized from the SMILES string using UFF as implemented in rdkit.
Source: Organic Photovoltaic (OPV) Database
About this Resource
| Last updated | unknown |
|---|---|
| Created | unknown |
| Name | Test set data for SchNet-like models, but with the 3D geometry generated via DFT replaced by an approximate 3D structure optimized from the SMILES string using UFF as implemented in rdkit. |
| Format | Web Resource |
| License | Creative Commons Attribution |
| Created | 8 months ago |
| Media type | application/octet-stream |
| has views | False |
| id | 422bbd0d-8442-4cbf-a77e-97c9a0f018ec |
| metadata modified | 8 months ago |
| package id | 9e6d1fe5-e734-4994-94f1-f8bb12df3018 |
| position | 1 |
| state | active |
| tracking summary | {'total': 2, 'recent': 2} |