New analysis function to get a CIF structure #6
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HakyungKwon-TRI
approved these changes
Dec 4, 2020
|
Thanks Ha-Kyung for approval. I think setting up github action is a great idea. I've added some data that I used for testing code. This could be helpful for setting of the github action. |
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Implements a new analysis function to return the 3D structure of the first frame as a CIF string. This is used for training structure-based ML models.