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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/
MIT License
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Add docstring for MLTSA sklearn and MLTSA tensorflow
#17
zwei21
closed
2 years ago
0
Implement 'grid' option for 2D data projector to 1D
#16
zwei21
closed
2 years ago
0
Restructure of MLTSA repo
#15
zwei21
opened
2 years ago
4
MLTSA TwoD Pot source code done
#14
zwei21
closed
2 years ago
0
Stage2 done: traj generation source code and interface done, positive test passed
#13
zwei21
closed
2 years ago
0
dataset2D:potential generation part done and tested.
#12
zwei21
closed
2 years ago
0
Test all Notebooks for bugs
#11
pedrojuanbj
opened
2 years ago
0
Write all main things needed at the index on documentation
#10
pedrojuanbj
opened
2 years ago
0
Review and finish up the 1D analytical model module documentation
#9
pedrojuanbj
opened
2 years ago
0
Review and finish up the MD module for analysis and CV definition/production documentation
#8
pedrojuanbj
opened
2 years ago
0
Write SKlearn-Integrated MLTSA module documentation
#7
pedrojuanbj
opened
2 years ago
2
Write TensorFlow Integrated MLTSA module documentation
#6
pedrojuanbj
opened
2 years ago
2
FIx compatibility with Jupyter Notebook to show them in the webpage documentation.
#5
pedrojuanbj
closed
2 years ago
1
Fix documentation and read the docs error compilation.
#4
pedrojuanbj
closed
2 years ago
1
2D Models data labelling and clustering module
#3
pedrojuanbj
closed
2 years ago
1
2D Models (Z-shaped and Spiral) data gen implementation on datagen.py module
#2
pedrojuanbj
closed
2 years ago
5
Write pages
#1
pedrojuanbj
closed
2 years ago
0