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dishwor's Projects

deepchem-tutorial icon deepchem-tutorial

Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology

dishwor icon dishwor

Config files for my GitHub profile.

manim icon manim

Animation engine for explanatory math videos

mast-ml icon mast-ml

MAterials Simulation Toolkit for Machine Learning (MAST-ML)

megnet icon megnet

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

nested-cross-validation icon nested-cross-validation

Nested cross-validation for unbiased predictions. Can be used with Scikit-Learn, XGBoost, Keras and LightGBM, or any other estimator that implements the scikit-learn interface.

smiles-transformer-ref-8 icon smiles-transformer-ref-8

Original implementation of the paper "SMILES Transformer: Pre-trained Molecular Fingerprint for Low Data Drug Discovery" by Shion Honda et al.

youtube_channel icon youtube_channel

Notebooks for the python tutorials of my youtube channel. See specific youtube video for link to specifc notebook.

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