yangbobor's Stars
andymlau/ChargeRoulette
Files for automating gas phase molecular dynamics
alanwilter/acpype
OFFICIAL: AnteChamber PYthon Parser interfacE
andoresu47/Basin-Hopping
Implementation of a Basin Hopping Monte Carlo (BH) global optimization algorithm for supported metal nanoalloys. Works in conjunction with Quantum Espresso.
xiaoshoudian/xiazai
小手电官方版本下载 小手电 翻墙 代理 科学上网 外网 加速器 梯子 路由 Xiaoshoudian proxy vpn censorship-circumvention censorship gfw accelerator
HopkinsLaboratory/MobCal-MPI
Parallelization of the commonly used MobCal suite to calculate ion mobilities and collision cross sections
McLeanResearchGroup/CCS-Compendium
United CCS Compendium
burlab/MasshunteR
Processing of Agilent MassHunter Quant Results
ChristopherAMyers/CoSIMS
CoSIMS, a Collision Simulator for Ion Mobility Spectrometry (Journal Article: https://doi.org/10.1021/acs.jpcb.9b01018)
workflow4metabolomics/tools-metabolomics
Galaxy tools for metabolomics maintained by Workflow4Metabolomics
mzmine/mzmine2
MZmine 2 source code repository
sneumann/xcms
This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
PNNL-Comp-Mass-Spec/LIQUID
Software tool for identifying lipids in LC-MS/MS-based lipidomics data
xia-lab/MetaboAnalystR
R package for MetaboAnalyst
alexjc/neural-enhance
Super Resolution for images using deep learning.
IBM/MAX-Image-Resolution-Enhancer
Upscale an image by a factor of 4, while generating photo-realistic details.
ahnoamu/Custom-line-and-bar-plots-on-R
luyang93/Gromacs
gromacs(Protein-Ligand Complex)
RashmiKumari/g_mmpbsa
MM-PBSA method for GROMACS. For full description, please visit homepage:
LucaAngioloni/ProteinSecondaryStructure-CNN
Protein Secondary Structure predictor using Convolutional Neural Networks
rockingdingo/deepnlp
Deep Learning NLP Pipeline implemented on Tensorflow
zyxue/pdb-secondary-structure
Transform data from RCSB Protein Data Bank for secondary structure prediction
polyaxon/haupt
Lineage metadata API, artifacts streams, sandbox, API, and spaces for Polyaxon
reneargento/algorithms-sedgewick-wayne
Solutions to all the exercises of the Algorithms book by Robert Sedgewick and Kevin Wayne
AshYao/Algorithms
alrojo/CB513
CB513 results (world record)
ikesnowy/Algorithms-4th-Edition-in-Csharp
算法(第四版)习题题解 C# 版
kysonzhu/AlgorithmDemo4Demo
AlgorithmDemo4Demo
shadowsocks/shadowsocks-windows
A C# port of shadowsocks
apache/spark
Apache Spark - A unified analytics engine for large-scale data processing
jiangzhongkai/CCF-2018-TeleCOM
CCF2018 数据挖掘 机器学习 智能匹配 特征工程