environment.yml

name: FusionDTI
channels:
  - conda-forge
  - bioconda
  - defaults
dependencies:
  - python=3.8
  - flask
  - torch
  - transformers
  - matplotlib
  - biopython
  - pandas
  - numpy
  - scikit-learn
  - rdkit
  - selfies
  - pip
  - pip:
      - ipython