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xxffliu's Projects

anarci-pyt3 icon anarci-pyt3

A modified version of ANARCI (http://opig.stats.ox.ac.uk/webapps/sabdab-sabpred/ANARCI.php) compatible to Python3

ase_ani icon ase_ani

ANI-1 neural net potential with python interface (ASE)

biopandas icon biopandas

Working with molecular structures in pandas DataFrames

convmhc icon convmhc

ConvMHC - a web server for peptide-MHC class I binding predictions using deep convolutional neural networks

decagon icon decagon

Graph convolutional neural network for multirelational link prediction

drugai icon drugai

Generation and Classification of Drug Like molecule usings Neural Networks

esp_dnn icon esp_dnn

A Graph-Convolutional Deep Neural Network for predicting electrostatic potential surfaces

gentrl icon gentrl

Generative Tensorial Reinforcement Learning (GENTRL) model

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