/tools/paccmann_datasets
paccmann_datasets
PaccMann/paccmann_datasets
29 stars7 forksPythonAdded February 4, 2026
summary
Pytoda is a Python package that simplifies the handling of biochemical data for deep learning applications using PyTorch. It is particularly useful for researchers working on molecular design and related tasks in computational chemistry.
description
pytoda - PaccMann PyTorch Dataset Classes. Read the docs: https://paccmann.github.io/paccmann_datasets/
topics
pytorchchemoinformaticsbioinformaticsrdkitsmilesdeep-learningpython
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