Update README.md
Browse files
README.md
CHANGED
|
@@ -27,4 +27,5 @@ These models are designed for tasks related to molecular modeling, chemical reac
|
|
| 27 |
| `endo_SI.pt` | <!-- Describe endo_SI.pt here --> Model trained on the endo subset (experimental details are stated in the Supporting Information) |
|
| 28 |
| `exo_SI.pt` | <!-- Describe exo_SI.pt here --> Model trained on the exo subset (experimental details are stated in the Supporting Information) |
|
| 29 |
| `finetuned_FlowER.pt` | <!-- Describe finetuned_FlowER.pt here --> Model fine-tuned from `FlowER.pt` on the unprocessed dataset (without MMFF estimation) |
|
| 30 |
-
|
|
|
|
|
|
| 27 |
| `endo_SI.pt` | <!-- Describe endo_SI.pt here --> Model trained on the endo subset (experimental details are stated in the Supporting Information) |
|
| 28 |
| `exo_SI.pt` | <!-- Describe exo_SI.pt here --> Model trained on the exo subset (experimental details are stated in the Supporting Information) |
|
| 29 |
| `finetuned_FlowER.pt` | <!-- Describe finetuned_FlowER.pt here --> Model fine-tuned from `FlowER.pt` on the unprocessed dataset (without MMFF estimation) |
|
| 30 |
+
| `mmff_SI_section4.pt` | <!-- Describe mmff_SI_section4.pt here --> Model fine-tuned from MMFF94 aligned dataset in SI section 4 |
|
| 31 |
+
| `xtb_SI_section4.pt` | <!-- Describe xtb_SI_section4.pt here --> Model fine-tuned from xtb aligned dataset in SI section 4 |
|