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pedrojuanbj
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MLTSA
Machine Learning Transition State Analysis (MLTSA) suite with Analytical models to create data on demand and test the approach on different types of data and ML models.
https://mltsa.readthedocs.io/en/latest/
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Review and finish up the MD module for analysis and CV definition/production documentation
#8
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pedrojuanbj
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2 years ago