Levi Naden
Levi Naden
It has been suggested by an advisory board to MolSSI's to consider rebranding this repository to distinguish it more from the base Cookiecutter tech it runs on. Specifically the name...
A massive security breach from Travis CI was detected on September 3. All Secure Environment Variables were injected into the Public Logs. Details here: https://twitter.com/peter_szilagyi/status/1437646118700175360 ALL USERS who still have...
We should consider if we should make a note about the versioneer description to note that it is not really updated, but does still just work. Also double check the...
#56 introduced changes to the Cookiecutter to move away from having the repo handle deployment tasks (i.e. conda-build). I tried to make some changes to the documentation on deployment and...
The primary [Cookiecutter](https://github.com/audreyr/cookiecutter) site has links to many cookiecutters, we should add this repo to that. Related to #1 as we want the name first Related to #3 in that...
Right now only the Optimization model is on, we will want to add more general models later.
The traces have made no sense/are not computed correctly since the SAMS refactor went in, this should be fixed
We should refactor YANK to not need OpenMolTools which is lagging behind the dev cycle. Might be a bit tricky since OpenMolTools provides the hook into Amber, Schrodinger, and OpenEye....
In follow up to #823, we want to make a YAML(s) which have the human-readable Cerberus schema's for the validators. There are a few steps to making this happen: 1....
Once we have a HelloWorld boiler plate to work with, we should change the CI examples to point at it for a better "Learn by copying this" example