3 code implementations • 7 Feb 2024 • Md Shamim Hussain, Mohammed J. Zaki, Dharmashankar Subramanian
We also obtain SOTA results on QM9, MOLPCBA, and LIT-PCBA molecular property prediction benchmarks via transfer learning.
Ranked #1 on Drug Discovery on LIT-PCBA(KAT2A)
1 code implementation • 2 Jun 2023 • Md Shamim Hussain, Mohammed J. Zaki, Dharmashankar Subramanian
However, the dynamic (i. e., input-dependent) nature of these pathways makes it difficult to prune dense self-attention during training.
Ranked #12 on Graph Regression on PCQM4Mv2-LSC
3 code implementations • 7 Aug 2021 • Md Shamim Hussain, Mohammed J. Zaki, Dharmashankar Subramanian
The resultant framework - which we call Edge-augmented Graph Transformer (EGT) - can directly accept, process and output structural information of arbitrary form, which is important for effective learning on graph-structured data.
Ranked #1 on Graph Regression on PCQM4Mv2-LSC