ensembler | Automated omics-scale protein modeling and simulation setup
kandi X-RAY | ensembler Summary
kandi X-RAY | ensembler Summary
Automated omics-scale protein modeling and simulation setup.
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Top functions reviewed by kandi - BETA
- Generate solvate models
- Add data to project
- Add iteration number to metadata
- Write metadata to file
- Cluster models
- Get the targets and templates
- Return a sequence of templates resolved seq
- Get the targets
- Gather templates from a UniProt XML file
- Gather template sequences from target Explorer
- Query the UniProt XML from UniProt XML
- Iteratively loop through template templates
- Query target explorer
- Write the default overrides file
- Render the simulation
- Construct a Trajectory object
- Checks if the project directory is a top - level project directory
- Create a mdtraj file
- Build Modeller models
- Generate implicit start models
- Parse command line arguments
- Align targets and templates
- R Determine the nwaters
- Write the python version file
- Gather templates from given PDB sequences
- Run molprobability validation
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QUESTION
The way decision trees and random forest work using splitting logic, I was under the impression that label encoding would not be a problem for these models, as we are anyway going to split the column. For eg: if we have gender as 'male', 'female' and 'other', with label encoding, it becomes 0,1,2 which is interpreted as 0<1<2. But since we are going to split the columns, I thought it didn't matter as it is the same thing whether we are going to split on 'male' or '0'. But when I tried both label and one hot encoding on the dataset, one hot encoding gave better accuracy and precision. Can you kindly share your thoughts.
...ANSWER
Answered 2020-Jun-06 at 20:48You can see it as a regularization effect: your model is simpler, and so more generalizable. So you get better performances.
Taking your example of the sex feature: [male, female, other] with label encoding become [0, 1, 2].
Now suppose there is a particular configuration of the other features which works only for females: the tree needs two branches to select females, one which select sex bigger than zero, and the other which select sex lower than 2.
Instead, with one-hot encoding, you only need a branch to do the selection, say sex_female bigger than zero.
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