name: rfd2_env_124
channels:
  - nvidia/label/cuda-12.4.0
  - https://conda.rosettacommons.org
  - pytorch
  - dglteam/label/th24_cu124
dependencies:
  - python=3.11
  - pip
  - numpy<2
  - matplotlib
  - jupyterlab
  - conda-forge::openbabel=3.1.1
  - dgl
  - pytorch=2.4.0
  - pytorch-cuda=12.4
  - pyrosetta 
  - pip:
     - -r requirements_cuda124.txt