graph neural networks do generally seem to work pretty well for many tasks and are not snake oil. so it’s not unbelievable that they are also able to predict mo

graph neural networks do generally seem to work pretty well for many tasks and are not snake oil. so it’s not unbelievable that they are also able to predict molecule properties with some degree of accuracy — and a fair number of papers have had some success on various datasets of molecular structures over the past couple of years. whether it’s a big deal for actual real world drug discovery, i have no idea, but this isn’t just a mirage.