choderalab/drugforge

Toolkit for open antiviral drug discovery by the Choderalab (formerly ASAP)

4 stars 1 forks 4 watchers Python MIT License

4 Open Issues Need Help Last updated: Sep 11, 2025

Open Issues Need Help

Update to support latest `cinnabar` 0.5.0 about 2 months ago

AI Summary: This issue requests an update to the codebase to support the new `cinnabar` 0.5.0 API. The primary change involves migrating from the `graph` method on `Femap` objects to the new `to/from_networkx` methods for compatibility.

Complexity: 1/5

enhancement good first issue

choderalab/drugforge

Toolkit for open antiviral drug discovery by the Choderalab (formerly ASAP)

Python

Less frequent run of long CI tests 2 months ago

enhancement good first issue

choderalab/drugforge

Toolkit for open antiviral drug discovery by the Choderalab (formerly ASAP)

Python

Renaming serialized ml models in testing data 3 months ago

AI Summary: Rename serialized machine learning models in the testing data of the `drugforge` (formerly `asapdiscovery`) project to reflect the rebranding, potentially making them agnostic to the package name. This involves updating the `asap_models.yaml` file and potentially other related files.

Complexity: 3/5

enhancement good first issue

choderalab/drugforge

Toolkit for open antiviral drug discovery by the Choderalab (formerly ASAP)

Python

ReadTheDocs for drugforge after renaming 3 months ago

AI Summary: Configure ReadTheDocs to build and host documentation for the renamed `drugforge` package, requiring updates to the build configuration and potentially the documentation source files to reflect the new name.

Complexity: 3/5

documentation good first issue

choderalab/drugforge

Toolkit for open antiviral drug discovery by the Choderalab (formerly ASAP)

Python