LiuLime

LiuLime's Stars

• mordred-descriptor/mordred

  a molecular descriptor calculator

  Language:Python37097

• laurahdezlorenzo/graph_genetics

  Phenotype prediction through genotype by means of GNNs

  Language:Jupyter Notebook125

• matcyr/APBJC2024_GNN_Tutorial

  Tutorial for Graph Neural Network at APBJC 2024.

  Language:Jupyter Notebook91

• mamba-org/mamba

  The Fast Cross-Platform Package Manager

  Language:C++7k359

• awslabs/dgl-lifesci

  Python package for graph neural networks in chemistry and biology

  Language:Python731151

• Bjarten/early-stopping-pytorch

  Early stopping for PyTorch

  Language:Jupyter Notebook1.2k293

• yjdeng9/DeepMSProfiler

  DeepMSProfiler, an innovative data analysis tool focused on liquid chromatography mass spectrometry (LC-MS) data.

  Language:Python132

• pytorch/examples

  A set of examples around pytorch in Vision, Text, Reinforcement Learning, etc.

  Language:Python22.5k9.6k

• bittremieux/GLEAMS

  GLEAMS is a Learned Embedding for Annotating Mass Spectra.

  Language:Python227

• evolutionaryscale/esm

  Language:Python1.3k154

• bittremieux/spectrum_utils

  Python package for efficient mass spectrometry data processing and visualization

  Language:Python13920

• jokergoo/ComplexHeatmap

  Make Complex Heatmaps

  Language:R1.3k227

• bioptimus/releases

  827

• google-deepmind/alphafold

  Open source code for AlphaFold 2.

  Language:Python12.9k2.3k

• amkozlov/raxml-ng

  RAxML Next Generation: faster, easier-to-use and more flexible

  Language:C++39864

• plotly/plotly.py

  The interactive graphing library for Python :sparkles: This project now includes Plotly Express!

  Language:Python16.3k2.6k

• tnaake/PKS_synteny

  Scripts for PKS synteny project

  Language:R1

• metabolomics-us/mona

  MassBank of North America (MoNA) is a metadata-centric, auto-curating repository designed for efficient storage and querying of mass spectral records. The MoNA server is a set of Spring microservices written in Scala and Java utilizing MongoDB and ElasticSearch for data storage and RabbitMQ for messaging. The front-end is an Angular 10 web application that communicates with the server through REST endpoints.

  Language:Scala15

• michaelwitting/RepoRT

  This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based metabolomics

  Language:HTML3817

• krahets/hello-algo

  《Hello 算法》：动画图解、一键运行的数据结构与算法教程。支持 Python, Java, C++, C, C#, JS, Go, Swift, Rust, Ruby, Kotlin, TS, Dart 代码。简体版和繁体版同步更新，English version ongoing

  Language:Java100k12.6k

• holoviz/datashader

  Quickly and accurately render even the largest data.

  Language:Python3.3k367

• thermofisherlsms/RawFileReader

  Language:C#5020

• PNNL-Comp-Mass-Spec/Thermo-Raw-File-Reader

  .NET DLL wrapper for reading Thermo .Raw files. Uses ThermoFisher.CommonCore NuGet packages provided by Thermo Fisher Scientific

  Language:C#3812

• facebookresearch/esm

  Evolutionary Scale Modeling (esm): Pretrained language models for proteins

  Language:Python3.3k643

• MGMCN/jrecin-job-information-downloader

  Download job postings in bulk from JREC-IN and save them as an Excel file.

  Language:HTML1

• networkx/networkx

  Network Analysis in Python

  Language:Python15k3.3k

• woshixuhao/Retention-Time-Prediction-for-Chromatographic-Enantioseparation

  The dataset, code, and software for the paper 'Retention Time Prediction for Chromatographic Enantioseparation by Quantile Geometry-enhanced Graph Neural Network'

  Language:Python114

• biopython/biopython

  Official git repository for Biopython (originally converted from CVS)

  Language:Python4.4k1.8k

• REMitchell/python-scraping

  Code samples from the book Web Scraping with Python http://shop.oreilly.com/product/0636920034391.do

  Language:Jupyter Notebook4.4k2.5k

• jlevy/the-art-of-command-line

  Master the command line, in one page

  154k14.6k