Containerise BindCraft for use on a HPC

[shambam]

Hi there,

Would it be possible to containerise BindCraft so we can use this on a HPC system? We're having a host of problems installing it there, and our attempts to make a singularity image are failing too( at the point of installing python packages). If you could provide a container it would really help.

Many thanks.

[cytokineking]

The FreeBindCraft repo (which respects all the upstream logic of the original bindcraft) includes a dockerfile and a convenient CLI wrapper to use it: https://github.com/cytokineking/FreeBindCraft

[shambam]

The FreeBindCraft repo (which respects all the upstream logic of the original bindcraft) includes a dockerfile and a convenient CLI wrapper to use it: https://github.com/cytokineking/FreeBindCraft

Brilliant. Thanks so much, I'll give it a shot.