Jacob Silterra d9114a44ae Add Dockerfile for creating container. ...

Also add web app code for simple gradio app.
Refine requirements.txt/environment.yml.
Automatically download models if not present.

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..

diffusion_utils.py

first commit v1.1

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download.py

Add Dockerfile for creating container.

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geometry.py

first commit v1.1

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gnina_utils.py

first commit v1.1

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inference_utils.py

first commit v1.1

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molecules_utils.py

first commit v1.1

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parsing.py

first commit v1.1

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precompute_series.py

Add Dockerfile for creating container.

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print_device.py

Add Dockerfile for creating container.

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sampling.py

first commit v1.1

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so3.py

first commit v1.1

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torsion.py

first commit v1.1

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torus.py

first commit v1.1

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training.py

first commit v1.1

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utils.py

first commit v1.1

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visualise.py

first commit

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