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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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Fix featurizer #12

Closed MxMstrmn closed 2 years ago

MxMstrmn commented 2 years ago

Added a check for '*' in smiles strings -> unknown atoms