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mattwthompson committed Nov 14, 2024
1 parent 909f6f7 commit 4d3a821
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Expand Up @@ -3,6 +3,7 @@ channels:
- conda-forge
dependencies:
- openff-bespokefit
- openff-toolkit ~=0.16.6
- ambertools
- xtb-python
- pytest
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