Skip to content

Commit 7ee6945

Browse files
Update and rename DeePMD_24_04_2025.md to Uni-Mol_24_04_2025.md (#278)
1 parent 282fafc commit 7ee6945

File tree

1 file changed

+1
-2
lines changed

1 file changed

+1
-2
lines changed

source/_posts/DeePMD_24_04_2025.md renamed to source/_posts/Uni-Mol_24_04_2025.md

Lines changed: 1 addition & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1,5 +1,5 @@
11
---
2-
title: "What Can DP Do too? | Revealing the Critical Role of Molecular Conformations in AI Prediction Performance"
2+
title: "What Can Uni-Mol Do too? | Revealing the Critical Role of Molecular Conformations in AI Prediction Performance"
33
date: 2025-04-24
44
categories:
55
- DeePMD
@@ -11,7 +11,6 @@ Conformation, which refers to the different atomic arrangements a molecule can a
1111

1212
Recently, Yu Hamakawa et al. published a study titled "Understanding Conformation Importance in Data-Driven Property Prediction Models" in the Journal of Chemical Information and Modeling. This research systematically evaluates the value of conformational information in molecular modeling and empirically compares the performance of mainstream models, including Uni-Mol, across multiple datasets. The study shows that by fully modeling conformational information, AI can significantly improve performance in multiple molecular property prediction tasks, with Uni-Mol demonstrating exceptional advantages in particular.
1313

14-
Paper Link : https://j1q.cn/qspF6Zl5
1514

1615
## Dataset Introduction: Four Types of Task Scenarios with Conformational Diversity
1716

0 commit comments

Comments
 (0)