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Chemicalx ⭐ 657

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

Deepsmiles ⭐ 81

DeepSMILES - A variant of SMILES for use in machine-learning

Molecules_dataset_collection ⭐ 26

Collection of data sets of molecules for a validation of properties inference

SLICES: An Invertible, Invariant, and String-based Crystal Representation (Text2Crystal)

Kaio Machine Learning Human Face Detection ⭐ 15

Machine Learning project a case study focused on the interaction with digital characters, using a character called "Kaio", which, based on the automatic detection of facial expressions and classification of emotions, interacts with humans by classifying emotions and imitating expressions

Explaining black boxes with a SMILE: Statistical Mode-agnostic Interpretability with Local Explanations

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