pyMCD: Python package for searching transition states via the multicoordinate driven method.
Kyunghoon LeeJun Hyeong KimWoo Youn KimPublished in: Comput. Phys. Commun. (2023)
Keyphrases
- high precision
- theoretical analysis
- detection method
- open source
- segmentation method
- pairwise
- preprocessing
- objective function
- neural network
- significant improvement
- high accuracy
- data sets
- mutual information
- similarity measure
- synthetic data
- mathematical model
- cost function
- clustering method
- error rate
- feature selection