Mike575

andrewjanowczyk

bert-as-service

Mapping a variable-length sentence to a fixed-length vector using BERT model

CGRtools

CGRs, molecules and reactions manipulation

chemprop-atom-bond

Message Passing Neural Networks for Atomic/Bond Property Prediction

darknet

YOLOv4 - Neural Networks for Object Detection (Windows and Linux version of Darknet )

deep-learning-for-image-processing

deep learning for image processing including classification and object-detection etc.

eMolFrag

eMolFrag is a molecular fragmentation tool based on BRICS algorithm written in Python.

GNN

Graph neural networks

GPT2-Chinese

Chinese version of GPT2 training code, using BERT tokenizer.

Indigo

Universal cheminformatics libraries, utilities and database search tools

MCdropout-CYP450Classifcation

Use Monte-Carlo dropout to quantify the uncertainty and excludes the uncertain prediction against CYP450 inhibition dataset.

Mike575.github.io

My Blog | Mike Lai

Molecular-graph-BERT

semi-supervised learning for molecular property prediction

molvec

A feeble attempt at molecular recognition (in the literal sense)

MoNuSAC-ISBI-2020

[ISBI'2020] 11th place solution to Multi-organ nuclei segmentation and classification challenge.

opsin

Open Parser for Systematic IUPAC Nomenclature. Chemical name to structure conversion

patent-reaction-extraction

Text mining of chemical reactions

Pyramid-Attention-Networks

PyTorch code for "Pyramid Attention Networks for Image Restoration" with new SOTA results on multiple image restoration tasks: denoising, demosaicing, compression artifact reduction, super-resolution

pytorch-classification-uncertainty

This repo contains a PyTorch implementation of the paper: "Evidential Deep Learning to Quantify Classification Uncertainty"

QuPathGeoJSONImportExport

Coincides with blogpost for using geojson and shapely

RCAN

PyTorch code for our ECCV 2018 paper "Image Super-Resolution Using Very Deep Residual Channel Attention Networks"

rdchiral

Wrapper for RDKit's RunReactants to improve stereochemistry handling

Reaction_Data_Cleaning

Chemical reaction data cleaning

RetroXpert

rxn_yields

Code complementing our manuscript on the prediction of chemical reaction yields (http://dx.doi.org/10.26434/chemrxiv.12758474)

rxnfp

Reaction fingerprints, atlases and classification. Code complementing our Nature Machine Intelligence publication on "Mapping the space of chemical reactions using attention-based neural networks" (http://rdcu.be/cenmd).

rxnmapper

RXNMapper: Unsupervised attention-guided atom-mapping

synthesis

Contains results and data from Augmented Transformer article

USRNet

Deep Unfolding Network for Image Super-Resolution (CVPR, 2020) (PyTorch)

watershed

基于分水岭算法的图像分割