id: 49
Nov. 23, 2021
Sourcecode

MoleculeNet: DeepChem

Deepchem | 2019

Bharath Ramsundar and Peter Eastman;

Description:

The DeepChem project maintains an extensive collection of tutorials. All tutorials are designed to be run on Google colab (or locally if you prefer). Tutorials are arranged in a suggested learning sequence which will take you from beginner to proficient at molecular machine learning and computational biology more broadly. After working through the tutorials, you can also go through other examples. To apply deepchem to a new problem, try starting from one of the existing examples or tutorials and modifying it step by step to work with your new use-case.

Citation:

https://github.com/deepchem/deepchem

Keywords:

quantum chemistry, biology, open-source toolchain, drug discovery, materials science,

Curator: laiwei.cool@gmail.com