tuanle618
Research on representation learning for molecular structures. Broad interest in statistics, probabilistic modelling and optimal transport theory.
@bayer-science-for-a-better-lifeBerlin
Pinned Repositories
eqgat
Research repository for the proposed equivariant graph attention network that operates on large biomolecules proposed by Le et al. (2022)
giae
Implementation of the Paper "Unsupervised Learning of Group Invariant and Equivariant Representations" presented at NeurIPS 2022.
neuraldecipher
Implementation of the paper "Neuraldecipher - Reverse-engineering extended-connectivity fingerprints (ECFPs) to their molecular structures" by Tuan Le, Robin Winter, Frank Noé and Djork-Arné Clevert
phc-gnn
Implementation of the Paper: "Parameterized Hypercomplex Graph Neural Networks for Graph Classification" by Tuan Le, Marco Bertolini, Frank Noé and Djork-Arné Clevert
AEDA
AEDA - Automated Data Exploratory Analysis in R
deepArt-generation
Repository for generating arts using modern algorithms such as deep convolutional generative nets or conv. variational autoencoders where data/images to be learned is scraped from wikiart.org
eqgat-diff
neural-net-random-art
Repository for creating random abstract art using fully connected neural networks
neural-style-transfer
Repository to apply neural style transfer on content and style image to create a new artistic images with Keras.
tuanle618's Repositories
tuanle618/neural-net-random-art
Repository for creating random abstract art using fully connected neural networks
tuanle618/deepArt-generation
Repository for generating arts using modern algorithms such as deep convolutional generative nets or conv. variational autoencoders where data/images to be learned is scraped from wikiart.org
tuanle618/AEDA
AEDA - Automated Data Exploratory Analysis in R
tuanle618/eqgat-diff
tuanle618/neural-style-transfer
Repository to apply neural style transfer on content and style image to create a new artistic images with Keras.
tuanle618/al-folio
A beautiful, simple, clean, and responsive Jekyll theme for academics
tuanle618/bgflow
Boltzmann Generators and Normalizing Flows in PyTorch
tuanle618/casanovo
De Novo Mass Spectrometry Peptide Sequencing with a Transformer Model
tuanle618/conv-net-feature-extraction
This repository shows how to extract the output activations of intermediate layers from keras (convolutional) neural networks
tuanle618/CPMolGAN
tuanle618/DeepLearning_AutoEncoders
This repository contains the implementation of deep learning models working auto encoders
tuanle618/DeepLearning_ImageRecognition
This repository contains the implementation of deep learning models for image recognition.
tuanle618/depthcharge
A deep learning toolkit for mass spectrometry
tuanle618/gvp-pytorch
Geometric Vector Perceptrons --- a rotation-equivariant GNN for learning from biomolecular structure
tuanle618/image-segmentation
Implementation of image segmentation networks using pytorch.
tuanle618/Img2Mol
tuanle618/MachineLearning_PredictiveModelling
Repository for Implementation of Machine Learning Algorithms
tuanle618/pytorch_geometric
Geometric Deep Learning Extension Library for PyTorch
tuanle618/tuanle618
My personal repository
tuanle618/uclRL
Implementation of Algorithms for the course "Reinforcement Learning" by David Silver from UCL.
tuanle618/UGM_2020
Materials from the (virtual) 2020 RDKit UGM