/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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