DeepChem Infrastructure

The DeepChem project maintains supporting infrastructure on a number of different services. This infrastructure is maintained by the DeepChem development team.


The core DeepChem repositories are maintained in the deepchem GitHub organization.

DeepChem developers have write access to the repositories on this repo and technical steering committee members have admin access.

Travis CI

DeepChem runs continuous integration tests on Travis CI.

Conda Forge

The DeepChem feedstock repo maintains the build recipe for Conda-Forge.


DeepChem hosts nightly docker build instances on dockerhub.


DeepChem hosts major releases and nightly builds on pypi.

Amazon Web Services

DeepChem’s website infrastructure is all managed on AWS through different AWS services. All DeepChem developers have access to these services through the deepchem-developers IAM role. (An IAM role controls access permissions.) At present, @rbharath is the only developer with access to the IAM role, but longer term we should migrate this so other folks have access to the roles.


Amazon’s S3 allows for storage of data on “buckets” (Think of buckets like folders.) There are two core deepchem S3 buckets:

  • deepchemdata: This bucket hosts the website, MoleculeNet datasets, pre-featurized datasets, and pretrained models. This bucket is set up to host a static website (at static).
  • deepchemforum: This bucket hosts backups for the forums. The bucket is private for security reasons. The forums themselves are hosted on a digital ocean instance that only @rbharath currently has access to. Longer term, we should migrate the forums onto AWS so all DeepChem developers can access the forums. The forums themselves are a discord instance. The forums upload their backups to this S3 bucket once a day. If the forums crash, they can be restored from the backups in this bucket

Route 53

DNS for the website is handled by Route 53. The “hosted zone” holds all DNS information for the website.

Certificate Manager

The AWS certificate manager issues the SSL/TLS certificate for the * and domains.


We make use of a cloudfront distribution to serve our static website. The cloudfront distribution connects to the certificate in Certificate Manager and uses the deepchemdata bucket as the origin domain. We set CNAME for and


The domain is registered with GoDaddy. If you change the name servers in AWS Route 53, you will need to update the GoDaddy record. At present, only @rbharath has access to the GoDaddy account that owns the domain name. We should explore how to provide access to the domain name for other DeepChem developers.

Digital Ocean

The forums are hosted on a digital ocean instance. At present, only @rbharath has access to this instance. We should migrate this instance onto AWS so other DeepChem developers can help maintain the forums.