From the Developer's Desk

The DeepChem project aims to make high quality open source software for scientific machine learning more accessible to scientists and developers worldwide. We have a particular focus on molecular machine learning and drug discovery, but also support a broad range of applications in bioinformatics, materials science, and computational physics. I started DeepChem while doing my Ph.D. at Stanford, but today DeepChem operates as a global distributed community of researchers spread across many academic and industrial institutions. We hope that you will join our community and help us build!

~ Bharath Ramsundar


What is DeepChem?

DeepChem is a Python library for machine learning and deep learning on molecular and quantum datasets. It is built on top of PyTorch, and other popular ML frameworks. It is designed to make it easy to apply ML to new domains, and to build and benchmark new models. It is also designed to make it easy to use ML in production, by providing easy-to-use model export and deployment APIs.

How to get started?

To get started, you can check out our tutorials and documentation. You can also join our community on GitHub and discuss with other users.

Companies & Universities
Developing DeepChem

Licensing & Commercial Uses

DeepChem is licensed under the MIT License. We actively support commercial users. Note that any novel discoveries made through DeepChem belong entirely to the user and not to DeepChem developers.