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Pipedream for XChem/OpenBind (#333)
1 parent dabc381 commit a6161f2

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requirements.conda.txt

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@@ -11,6 +11,7 @@ nxmx
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pandas
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pika
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pint
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portalocker
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procrunner>=1.0.2
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prometheus_client
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pydantic>=2.0.3

setup.py

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"pandda_xchem = dlstbx.wrapper.pandda_xchem:PanDDAWrapper",
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"pandda_post = dlstbx.wrapper.pandda_post:PanDDApostWrapper",
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"pandda_rhofit = dlstbx.wrapper.pandda_rhofit:PanDDARhofitWrapper",
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"pipedream_xchem = dlstbx.wrapper.pipedream_xchem:PipedreamWrapper",
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"phaser_ellg = dlstbx.wrapper.phaser_ellg:PhasereLLGWrapper",
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"rlv = dlstbx.wrapper.rlv:RLVWrapper",
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"scaleit = dlstbx.wrapper.scaleit:ScaleitWrapper",

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