Go to Dodge Ball national tournament!

My kid is first grade elementary school. And he is a member of the dodgeball. The team practice twice a week. In this year the team won the regional championship. So they will go to national tournament tomorrow!. He is not a regular player so we will participate the tournament as cheer team. ;-) IContinue reading “Go to Dodge Ball national tournament!”

Multi-armed Bandit problem

I am interested in reinforcement learning. It is difficult for me. @_@ I tried to implement very simple and famous problem called ‘multi-armed bandit’. Image from wikipedia.. The multi-armed bandit problem is a problem in which a fixed limited set of resources must be allocated between competing (alternative) choices in a way that maximizes theirContinue reading “Multi-armed Bandit problem”

New finding of the Chan-Lam coupling

Copper catalyzed boronic acids and OH or NH containing reaction is called Chan-Lam reaction. The reaction often perform in mild conditions under oxygen atmosphere. Yes I have used the reaction to synthesize my target compound. But always yield was moderate and depends on steric effect. Today I found useful article that is reported by researchersContinue reading “New finding of the Chan-Lam coupling”

Edge Attention-based Multi-Relational GCN #pytorch #RDKit #DeepLearning

In the chemoinformatics area molecules are represented as graph, atom as node and bond as edge. In the ML area, Graph Convolution is catching a great deal of attention I think. Today I would like to introduce new approach which is proposed by Chao SHANG’s group. They developed Edge attention-based Multi-Relational Graph Convolutional Networks. URLContinue reading “Edge Attention-based Multi-Relational GCN #pytorch #RDKit #DeepLearning”