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A GUI based on napari for counting cells automatically in cell migration experiments

Python 43 10 Updated Nov 21, 2022

OOD Dataset Curator and Benchmark for AI-aided Drug Discovery

Python 153 22 Updated Oct 23, 2022

Predicting tandem mass spectra from molecules

Jupyter Notebook 80 16 Updated Jan 9, 2024

Efficiently predicting high resolution mass spectra with graph neural networks

Jupyter Notebook 26 3 Updated Aug 3, 2023

Chemcrow

Python 657 99 Updated Dec 19, 2024

[Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations

Python 21 7 Updated Dec 20, 2024

A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery

HTML 45 25 Updated Aug 28, 2023

Image-based trace signal detection from Mass Spectrometry with machine learning

Python 6 1 Updated May 9, 2019

Data analysis for single-lysosome mass spectrometry

R 1 3 Updated Jul 20, 2022

Bayesian optimization of LC gradient for untargeted chemical analysis

Python 4 Updated Sep 8, 2023

Accurately estimate FDR in metabolomics using entropy-based decoy methods.

Java 6 1 Updated Jun 7, 2024

A Deep Learning Framework to Interpret Raw Mass Spectrometry (m/z) Data

Python 19 1 Updated Jan 21, 2024

The official sources for the RDKit library

HTML 2,720 887 Updated Dec 22, 2024

MSBooster allows users to add deep learning-based features to .pin files before Percolator PSM rescoring

Java 16 2 Updated Dec 17, 2024

Mass Spectrometry for Small Molecules using Deep Learning

Python 111 42 Updated Jun 30, 2021

Bottom-up MS/MS interrogation & Experiment-specific global annotation

C# 28 6 Updated Dec 19, 2024
Jupyter Notebook 1,072 220 Updated Aug 1, 2024

python-lekin: Flexible Supply Chain Planning and Scheduler

Python 35 5 Updated Sep 4, 2024

PyTorch implementation of "Supervised Contrastive Learning" (and SimCLR incidentally)

Python 3,156 537 Updated Dec 26, 2023

Prototypical multiple instance learning for predicting lymph node metastasis of breast cancer from whole-slide pathological images

Python 26 4 Updated Sep 3, 2023

Attention Based Deep 3D Multiple Instance Learning

Python 23 6 Updated Aug 1, 2020

This is a reimplementation of AG-CNN. ("Thorax Disease Classification with Attention Guided Convolutional Neural Network","Diagnose like a Radiologist: Attention Guided Convolutional Neural Network…

Python 51 20 Updated Aug 18, 2022

Official code for Breast Cancer Histopathology Image Classification and Localization using Multiple Instance Learning

Python 76 23 Updated Apr 12, 2020

Implementation of region growing algorithm for liver extraction in CT/MRI scans.

Python 7 1 Updated Jun 3, 2018

An end to end automatic segmentation tool for MRI files, that can identify lungs, bladder, liver, kidney and bone

Python 5 Updated Dec 22, 2022
Python 1 Updated Nov 10, 2022

Repo for handing off MRE projects

Jupyter Notebook 3 2 Updated Oct 13, 2021
Jupyter Notebook 3 Updated Aug 19, 2020

Multi-instance deep learning of ultrasound imaging data for pattern classification of congenital abnormalities of the kidney and urinary tract in children

Python 2 Updated May 26, 2020
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