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Update environment.yml
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adjusted openff-toolkit version
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talagayev authored Aug 18, 2024
1 parent d805228 commit 5edb126
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2 changes: 1 addition & 1 deletion environment.yml
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Expand Up @@ -16,7 +16,7 @@ dependencies:
- rdkit>=2022.03.5
- mdtraj=1.9.7
- pdbfixer=1.8.1
- openff-toolkit=0.11.1
- openff-toolkit=0.16.0
- openmmforcefields=0.11.2
- cudatoolkit>=11.7.0
- cuda-python>=11.7.1
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