Spaces:
Running
on
CPU Upgrade
Running
on
CPU Upgrade
Commit
·
1a935dd
1
Parent(s):
4c85687
mof to zeolite
Browse files
app.py
CHANGED
@@ -508,7 +508,7 @@ def main():
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[
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str(
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Path(__file__).parent
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/ "./examples/
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),
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300,
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0.05,
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@@ -516,7 +516,7 @@ def main():
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0,
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1,
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False,
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"This is a
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],
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],
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example_labels=[
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[
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str(
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Path(__file__).parent
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/ "./examples/zeolite_CO2_2H2O.traj"
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),
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300,
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0.05,
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0,
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1,
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False,
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"This is a porous zeolite material using the ODac task. You might study structures like if designing materials for direct air capture (DAC) calculations. Look carefully for the co-adsorption between CO2 and two water molecules in the pore, which you might study if you were interested in the effect of humidity on DAC performance! You can also try the OMol and OMat tasks to see if the results differ.",
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],
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],
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example_labels=[
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examples/{MOF_CO2_2H2O.traj → zeolite_CO2_2H2O.traj}
RENAMED
File without changes
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