Conda package

[jthorton]

Hi, thanks for making these fantastic models open-source. Is there any interest in making AIMNet2 conda installable similar to torchani to make it easier to install and use? I am more than happy to help or do this.

[jthorton]

Some thoughts on how this could work:

• make this package conda installable and distribute all of the model weights with the package
• Move the model weights to another package or to be a release artifact and have the package download them when the model is needed similar to the torchani method.

[isayev]

Dear @jthorton thanks for the suggestions. I agree that this repo needs to be restructured. I will create a separate repo for the model zoo like in Torchani!

[jthorton]

Hi @isayev thanks for setting that up, would you like me to make a PR to move the model weights?

[isayev]

I will move model weights, thanks!

[jthorton]

Hi @isayev I just wanted to check how this was going is there anything I can help with?

[corinwagen]

agreed here - particularly w/ the extra dependencies added w/ PBC code, would be lovely to have a conda package!