EXP: OOD drug prediction (w/o pretraining)

theislab / chemCPA

Code for "Predicting Cellular Responses to Novel Drug Perturbations at a Single-Cell Resolution", NeurIPS 2022.

https://arxiv.org/abs/2204.13545

MIT License

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EXP: OOD drug prediction (w/o pretraining) #75

Closed siboehm closed 2 years ago

siboehm commented 2 years ago

Test whether we can accurately predict the gene expressions for drugs that haven't been observed during training. This has nothing to do with pretraining, but answers the question: Do our molecular embeddings allow us to accurately predict gene responses for unseen drugs?