acekkuk

acekkuk's Stars

• dair-ai/ML-YouTube-Courses

  📺 Discover the latest machine learning / AI courses on YouTube.

  15.8k367201.9k

• ossu/bioinformatics

  :microscope: Path to a free self-taught education in Bioinformatics!

  5.4k36424901

• schrodinger/pymol-open-source

  Open-source foundation of the user-sponsored PyMOL molecular visualization system.

  Language:C1.1k38319274

• ccsb-scripps/AutoDock-Vina

  AutoDock Vina

  Language:C++59426285208

• biojava/biojava

  :book::microscope::coffee: BioJava is an open-source project dedicated to providing a Java library for processing biological data.

  Language:Java58978451385

• OpenMS/OpenMS

  The codebase of the OpenMS project

  Language:C++477323.2k316

• RosettaCommons/PyRosetta.notebooks

  Jupyter Notebooks for learning the PyRosetta platform for biomolecular structure prediction and design

  Language:Jupyter Notebook46832933151

• openmm/pdbfixer

  PDBFixer fixes problems in PDB files

  Language:Python46313195115

• pharmai/plip

  Protein-Ligand Interaction Profiler - Analyze and visualize non-covalent protein-ligand interactions in PDB files according to 📝 Adasme et al. (2021), https://doi.org/10.1093/nar/gkab294

  Language:Python45416109104

• Pymol-Scripts/Pymol-script-repo

  Collected scripts for Pymol

  Language:Python4383935258

• oddt/oddt

  Open Drug Discovery Toolkit

  Language:Python4122296119

• metagenome-atlas/atlas

  ATLAS - Three commands to start analyzing your metagenome data

  Language:Python3701542698

• chemosim-lab/ProLIF

  Interaction Fingerprints for protein-ligand complexes and more

  Language:Python3601614067

• PMEAL/porespy

  A set of tools for characterizing and analying 3D images of porous materials

  Language:Python3002546398

• openmm/openmmforcefields

  CHARMM and AMBER forcefields for OpenMM (with small molecule support)

  Language:Python2491619280

• choderalab/openmmtools

  A batteries-included toolkit for the GPU-accelerated OpenMM molecular simulation engine.

  Language:Python2463836677

• pangeo-data/climpred

  :earth_americas: Verification of weather and climate forecasts :earth_africa:

  Language:Python231935548

• choderalab/espaloma

  Extensible Surrogate Potential of Ab initio Learned and Optimized by Message-passing Algorithm 🍹https://arxiv.org/abs/2010.01196

  Language:Python210178823

• mzmine/mzmine

  mzmine source code repository

  Language:Java18612734122

• compomics/ThermoRawFileParser

  Thermo RAW file parser that runs on Linux/Mac and all other platforms that support Mono

  Language:C#1832413848

• CHLNDDEV/OceanMesh2D

  A two-dimensional triangular mesh generator with pre- and post-processing utilities written in pure MATLAB (no toolboxes required) designed specifically to build models that solve shallow-water equations or wave equations in a coastal environment (ADCIRC, FVCOM, WaveWatch3, SWAN, SCHISM, Telemac, etc.).

  Language:MATLAB1821813865

• choderalab/yank

  An open, extensible Python framework for GPU-accelerated alchemical free energy calculations.

  Language:Python1782475870

• bxlab/bx-python

  Tools for manipulating biological data, particularly multiple sequence alignments

  Language:Python146125753

• percolator/percolator

  Semi-supervised learning for peptide identification from shotgun proteomics datasets

  Language:C++1272430536

• OpenMS/autowrap

  Generates Python Extension modules from Cythons PXD files

  Language:C++75128222

• sirius-ms/sirius-libs

  sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java

  Language:Java517025

• systemsomicslab/mtbinfo.github.io

  Language:HTML2511

• ssalentin/pymol-animations

  Tutorials and examples for nicer animations (movies) and images in PyMOL.

  Language:Python20209

• OSGConnect/tutorial-AutoDockVina

  Ligand-Receptor docking with AutoDock Vina

  Language:Shell1112010

• sirius-ms/sirius-openchrom

  OpenChrom plugin to perform SIRIUS LC-MS/MS small molecule analysis.

  Language:Java2300