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Running
| 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 | |