Search Results for "fold"

- This Software was made with an intention to make QSAR/QSPR development more efficient and reproducible. - Published in ACS, Journal of Chemical Information and Modeling . Link : https://pubs.acs.org/doi/10.1021/acs.jcim.4c02372 - Simple to use and no compromise on essential features necessary to make reliable QSAR models. - From Generating Reliable ML Based QSAR Models to Developing Your Own QSAR WebApp. For any feedback or queries, contact kabeermuzammil614@gmail.com - Available on...

To eventually become an unofficial working Pytorch implementation of Alphafold2, the breathtaking attention network that solved CASP14. Will be gradually implemented as more details of the architecture is released. Once this is replicated, I intend to fold all available amino acid sequences out there in-silico and release it as an academic torrent, to further science. Deepmind has open sourced the official code in Jax, along with the weights! This repository will now be geared towards a straight pytorch translation with some improvements on positional encoding. lhatsk has reported training a modified trunk of this repository, using the same setup as trRosetta, with competitive results. ...

In data classification, there are no particular classifiers that perform consistently in every case. This is even worst in case of both the high dimensional and class-imbalanced datasets. To overcome the limitations of class-imbalanced data, we split the dataset using a random sub-sampling to balance them. Then, we apply the (alpha,beta)-k feature set method to select a better subset of features and combine their outputs to get a consolidated feature set for classifier training. To...

We propose the use of Differential Evolution algorithm for the weight adjustment of base classifiers used in weighted voting heterogeneous ensemble of classifier. Average Matthews Correlation Coefficient (MCC) score, calculated over 10-fold cross-validation, has been used as the measure of quality of an ensemble. DE/rand/1/bin algorithm has been utilised to maximize the average MCC score calculated using 10-fold cross-validation on training dataset. The voting weights of base classifiers are optimized for the heterogeneous ensemble of classifiers aiming to attain better generalization performances on testing datasets.