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Tags: gcorso/DiffDock

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v1.1.3

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Fix environment.yml

Install prody with conda and not pip.

v1.1.2

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Various bugfixes

* Ensure we calculate rotatable bonds on the version of the ligand with no hydrogens. Also fix spelling of rotable -> rotatable. Closes GH-220 (@Nobody-Zhang)

* Vectorize SO3 calculations. Closes PR GH-218 (@tornikeo)

* Pin pytorch-lightning version. Closes GH-193 (@mikael-h-christensen)

* Guard against divide by zero in torus.py. Closes GH-161 (@amorehead)

* Update e3nn version to 0.5.1. Closes GH-155 (@amorehead)

* Add a little more info on docker container to README.md

v1.1.1

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Improve memory efficiency of graph convolution operation.

v1.1

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Add examples

v1.0

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Update README.md

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