test_env.yml

name: terphenyl
channels:
  - conda-forge
  - omnia
dependencies:
  - python
  - pip
  - pytest
  - rdkit
  - pyyaml
  - mbuild=0.14.2
  - mdtraj
  - numpy
  - matplotlib
  - scikit-learn
  - tqdm
  - mdanalysis
  - signac
  - signac-flow
  - panedr
  - pandas
  - seaborn
  - openff-toolkit
  - mbuild ==0.14.2
  - rdkit
  - ca-certificates
  - certifi
  - openssl
  - openbabel
prefix: /home/lenny/miniforge3/envs/terphenyl