girisd8075's starred repositories
ANI1_dataset
A data set of 20 million calculated off-equilibrium conformations for organic molecules
grails-uploadr
HTML5 Drag and Drop file upload plugin for the Grails framework
DL4MolecularGraph
Literature of deep learning for graphs in Chemistry and Biology
RSC_OpenScience_Standardization_202104
Materials for my presentation on molecular standardization as part of the RSC OpenScience workshop series
De_novo_design_SARSCOV2
Notebooks and files from the paper De novo Design and Bioactivity Prediction of SARS-CoV-2 Main Protease Inhibitors using Recurrent Neural Network-based Transfer Learning
30-seconds-of-code
Short code snippets for all your development needs
SMILES-enumeration
SMILES enumeration for QSAR modelling using LSTM recurrent neural networks