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. And, we use GitHub Actions to build a continuous integration pipeline.
DeepChem developers have write access to the repositories on this repo and technical steering committee members have admin access.
The DeepChem feedstock repo maintains the build recipe for conda-forge.
DeepChem hosts major releases and nightly docker build instances on Docker Hub.
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 admin 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 MoleculeNet datasets, pre-featurized datasets, and pretrained models.
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.
DNS for the deepchem.io website is handled by Route 53. The “hosted zone” deepchem.io holds all DNS information for the website.
The AWS certificate manager issues the SSL/TLS certificate for the *.deepchem.io and deepchem.io domains.
We make use of GitHub Pages to serve our static website. GitHub Pages connects to the certificate in Certificate Manager. We set CNAME for www.deepchem.io, and an A-record for deepchem.io.
The GitHub Pages repository is [deepchem/deepchem.github.io](https://github.com/deepchem/deepchem.github.io).
The deepchem.io 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 deepchem.io domain name. We should explore how to provide access to the domain name for other DeepChem developers.
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.