Arielbs / rlProtGen

Generation of backbones conditioned on theozyme geometry

rlProtGen (rL protein generator)

Generation of BackBones conditioned on theozyme geometry

Owners: Yakov Kipnis and Ariel Ben-Sasson

Version 0: unsupervised RL for generation of protein backbone from a set of constrained rotamers constituting a theozyme geometry

Instructions to build the conda env:

1. clone environment: on a linux system: conda env create -f environment.yml on a non linux system: conda env create -f environmentMin.yml
2. activate environment: conda activate rlProtGen
3. stage environemnt kernel to use on a jupyter notebook: python -m ipykernel install --user --name rlPrtoGen --display-name=rlPrtoGen
4. check your kernels: jupyter kernelspec list
5. open the notebook, select the "rlProtGen" kernel and enjoy. (or not)