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raimis
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RaulPPelaez
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May 2, 2023
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| "# Note: at the moment only the beta releases work correctly.\n", | ||
| "!mamba install -q \\\n", | ||
| " -c conda-forge/label/openmm_rc \\\n", | ||
| " -c conda-forge/label/openmm-torch_rc \\\n", | ||
| " -c conda-forge \\\n", | ||
| " openmm==8.0.0beta \\\n", | ||
| " openmm-torch==1.0beta \\\n", | ||
| " nnpops==0.2 \\\n", | ||
| " torchani==2.2.2 \\\n", | ||
| " openmmtools \\\n", | ||
| " &> /dev/null # Comment this line to see a log" |
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This should be good to go with a some changes here, right?
I guess removing the channels and the betas should do the trick, also nnpops to 0.5?
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