qikongwanli

qikongwanli's Stars

• openmm/pdbfixer

  PDBFixer fixes problems in PDB files

  Language:Python474114

• ruanzhepu/superCC

  A newly developed metabolic modeling pipeline, SuperCC, which could simulate the performances of different microbiomes.

  Language:MATLAB122

• OpenChemistry/avogadroapp

  Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

  Language:C++18471

• NiBoyang/AutoDock-SS

  Use AutoDock for Ligand-based Virtual Screening

  Language:Jupyter Notebook193

• intbio/gromacs_ff

  Trusted force field files for gromacs

  Language:Rich Text Format3912

• yungemre/CovalentDocking_AutoDock

  Bianco, G., Forli, S., Goodsell, D.S. and Olson, A.J. (2016), Covalent docking using autodock: Two-point attractor and flexible side chain methods. Protein Science, 25: 295-301. https://doi.org/10.1002/pro.2733

  Language:Python11

• Discngine/fpocket

  fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level. fpocket is distributed as free open source software. If you are interested in integrating fpocket in an industrial setting and require official support, please contact Discngine (www.discngine.com).

  Language:C29262

• sasaju/change-top

  处理GROMACS非标准残基的CLI工具

  Language:Dart61

• briatte/ggnetwork

  Geoms to plot networks with ggplot2

  Language:HTML14628

• Beaver-Notes/Beaver-Notes

  Build your knowledge one log at a time

  Language:Vue62027

• panwarp/PyL3dMD

  PyL3dMD: Python LAMMPS 3D Molecular Descriptors Package

  Language:Python228

• MengwuXiao/GetBox-PyMOL-Plugin

  A PyMOL Plugin for calculating docking box for LeDock, AutoDock and AutoDock Vina.

  Language:Python8320

• DweipayanG/GROMACS-Protein-Ligand

  Language:Python3625

• cdanielmachado/SteadierCom

  Microbial community simulation

  Language:Python5

• Valdes-Tresanco-MS/gmx_MMPBSA

  gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

  Language:Python22064

• qiyunlab/HGTector

  HGTector2: Genome-wide prediction of horizontal gene transfer based on distribution of sequence homology patterns.

  Language:Python12535

• fhh2626/BFEE2

  binding free energy estimator 2

  Language:Python10333

• lstprjct/IDM-Activation-Script

  IDM Activation & Trail Reset Script

  Language:Batchfile9.6k1.4k

• CBDD/rDock

  rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies.

  Language:C++5122

• schrojunzhang/KarmaDock

  Language:Python9112

• WGLab/doc-ANNOVAR

  Documentation for the ANNOVAR software

  232353

• bluenote-1577/fairy

  alignment-free coverage calculation for metagenomic binning >100 times faster

  Language:Rust361

• scanberg/viamd

  Visual Interactive Analysis of Molecular Dynamics

  Language:C++27328

• SystemsBioinformatics/cbmpy

  CBMPy is a Python based platform for constraint based modelling and analysis.

  Language:Python196

• EPFL-LCSB/NICEgame

  Language:MATLAB52

• ArtifexSoftware/pdf2docx

  Open source Python library for converting PDF to DOCX.

  Language:Python2.5k374

• jiarong/VirSorter2

  customizable pipeline to identify viral sequences from (meta)genomic data

  Language:Python21929

• nadermx/backgroundremover

  Background Remover lets you Remove Background from images and video using AI with a simple command line interface that is free and open source.

  Language:Python6.7k561

• BenKaehler/q2-makarsa

  A QIIME 2 plugin to generate and visualise microbial networks.

  Language:Python84

• sbmlteam/libsbml

  LibSBML is a native library for reading, writing and manipulating files and data streams containing the Systems Biology Markup Language (SBML). It offers language bindings for C, C++, C#, Java, JavaScript, MATLAB, Perl, PHP, Python, R and Ruby.

  Language:C++4129