Pinned Repositories
DDI
AttentiveFP
Bilateral-Filter-python
Black-Friday
char-rnn-poet
Simple two-layer LSTM network to generate Tang poems （七绝）
dgl-lifesci
Python package for graph neural networks in chemistry and biology
rdkit
The official sources for the RDKit library
SEGSA_DTA
shap
A game theoretic approach to explain the output of any machine learning model.
plip
Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294
koyurion's Repositories
koyurion/SEGSA_DTA
koyurion/AttentiveFP
koyurion/Bilateral-Filter-python
koyurion/Black-Friday
koyurion/char-rnn-poet
Simple two-layer LSTM network to generate Tang poems （七绝）
koyurion/dgl-lifesci
Python package for graph neural networks in chemistry and biology
koyurion/rdkit
The official sources for the RDKit library
koyurion/shap
A game theoretic approach to explain the output of any machine learning model.
koyurion/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
koyurion/espaloma
Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196
koyurion/hgcn
Hyperbolic Graph Convolutional Networks in PyTorch.
koyurion/hgnn
Hyperbolic Graph Neural Networks
koyurion/MolR
Chemical-Reaction-Aware Molecule Representation Learning
koyurion/MONN
MONN: a Multi-Objective Neural Network for Predicting Pairwise Non-Covalent Interactions and Binding Affinities between Compounds and Proteins
koyurion/multitask-learning
MSc group project: Reproduction of 'Multi-Task Learning using Uncertainty to Weigh Losses for Scene Geometry and Semantics'; A. Kendall, Y. Gal, R. Cipolla
koyurion/onionnet
A multiple-layer inter-molecular contact features based deep neural network for protein-ligand binding affinity prediction
koyurion/reaction-gcnn
Chainer implementation of Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions
koyurion/STAR
STAR: A Concise Deep Learning Framework for Citywide Human Mobility Prediction, MDM, 2019
koyurion/TorsionNet
A Deep Neural Network to predict small molecule torsion energy profiles with the accuracy of QM
koyurion/transformerCPI
TransformerCPI: Improving compound–protein interaction prediction by sequence-based deep learning with self-attention mechanism and label reversal experiments https://doi.org/10.1093/bioinformatics/btaa524