name: dna_mass_spec
channels:
  - conda-forge
  - defaults
dependencies:
  - python=3.12
  - flask=3.0.0
  - numpy=1.26.4
  - scipy=1.16.3
  - sympy=1.14.0
  - rdkit
  - matplotlib
  - pip
  - pip:
    - IsoSpecPy==2.2.1