Topic: molecular-docking Goto Github
Some thing interesting about molecular-docking
Some thing interesting about molecular-docking
molecular-docking,A molecular docking pipeline for the drug database against SARS-CoV2
Organization: ailabstw
molecular-docking,Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.
User: angelruizmoreno
molecular-docking,A curated list of FREE courses available online from top universities of the world on Computational Biology and Bioinformatics.
User: azminewasi
molecular-docking,implicit or explicit water model based docking with Autodock vina engine. supporting pharmacophore /position constrained docking
User: biocheming
molecular-docking,📡 Biodasturchi blog website
Organization: biodasturchi
Home Page: https://docs-8wz1mptd9-biodasturchi.vercel.app/
molecular-docking,Biodasturchi sayti uchun rasmlar bazasi
Organization: biodasturchi
Home Page: https://biodasturchi.uz
molecular-docking,AutoDock for GPUs and other accelerators
Organization: ccsb-scripps
Home Page: https://ccsb.scripps.edu/autodock
molecular-docking,A molecular docking pipeline for the drug database against SARS-CoV2
User: chester75321
molecular-docking,pythonic interface to virtual screening software
Organization: coleygroup
molecular-docking,drugdesign.org source of truth
Organization: drug-design
Home Page: https://www.drugdesign.org
molecular-docking,All in one Structure-Based Vitual Screening workflow based on the concept of consensus docking.
Organization: drugbud-suite
Home Page: https://drugbud-suite.github.io/dockm8-web/
molecular-docking,AutoDock molecular docking for the NEC SX-Aurora TSUBASA
Organization: esa-tu-darmstadt
molecular-docking,AnnapuRNA: a scoring function for predicting RNA-small molecule interactions.
User: filipspl
molecular-docking,Create customized voxel representations of protein-ligand complexes using GPU.
Organization: gmmsb-lncc
Home Page: https://docktgrid.readthedocs.io
molecular-docking,This is a plugin for PyMol 2.x to use the vina/Autodock fork SMINA under Windows 10 or 11 with the wsl2 linux subsystem installed.
User: goetzparsiegla
molecular-docking,LaTeX Bachelor's Thesis
User: gomax22
molecular-docking,Mathematical Modeling from the "Fiber-Eater" project, for the iGEM Design League Competition 2023.
User: j-gorm
Home Page: https://app.jogl.io/project/2017/FiberEater
molecular-docking,Python package to facilitate the use of popular docking software
User: jp43
molecular-docking,Reproducing IA^3 2021 paper: "Mapping Irregular Computations for Molecular Docking to the SX-Aurora TSUBASA Vector Engine"
User: l30nardosv
molecular-docking,Reproducing IA^3 2020 Paper: "Parallelizing Irregular Computations for Molecular Docking"
User: l30nardosv
molecular-docking,Reproducing paper: "Benchmarking the Performance of Irregular Computations in AutoDock-GPU Molecular Docking"
User: l30nardosv
molecular-docking,Automated pipeline for pharmacophore based virtual screening using the interface of pharmit interactive exploration of chemical space and ADMET analysis using ADMETLAB 2.0 API
Organization: lambda-ufpb
molecular-docking,Automatized Docking Algorithm
Organization: lbsymt-developers
molecular-docking,The NRGsuite is a PyMOL plugin (GUI) for FlexAID
User: lmorency
Home Page: http://biophys.umontreal.ca/nrg/resources.html
molecular-docking,QSAR models and data used for MAO-A and MAO-B virtual screening.
User: marcin-cieslak
molecular-docking,DockStream: A Docking Wrapper to Enhance De Novo Molecular Design
Organization: molecularai
molecular-docking,
Organization: molecularai
molecular-docking,Bachelor thesis
User: mungowz
molecular-docking,Flexible Artificial Intelligence Docking
Organization: nrglab
Home Page: http://biophys.umontreal.ca/nrg
molecular-docking,AlphaFold-based Protein Analysis Pipeline
User: otimusone
molecular-docking,A Consensus Docking Plugin for PyMOL
User: paiardin
molecular-docking,PrimaryOdors.org molecular docker.
User: primaryodors
molecular-docking, Docking Factory is a tool to automate molecular docking runs on an HPC cluster using the Dask framework. DockingFactory provides unified way of running molecular docking with different software backends: AutoDock Vina, Smina, Qvina2, and rDock.
Organization: quantori
molecular-docking, rDock is a fast and versatile Open Source docking program that can be used to dock small molecules against proteins and nucleic acids. This fork adds changes to rDock that allow it to be a part of DockingFactory.
Organization: quantori
molecular-docking,HIPPOS Is PyPLIF On Steroids. A Molecular Interaction Fingerprinting Tool for Docking Results of Autodock Vina and PLANTS
User: radifar
Home Page: https://pyplif-hippos.readthedocs.io
molecular-docking,📐 Symmetry-corrected RMSD in Python
User: rmeli
Home Page: https://spyrmsd.readthedocs.io
molecular-docking,GPCRs modeling and docking with python
User: rribeiro-sci
molecular-docking,RxDock is a fork of rDock. Note: the latest code is under development. Please do git checkout patched-rdock after clone if you want patched rDock. [IMPORTANT NOTE: pull requests should be posted on GitLab, this is a read-only source code mirror]
Organization: rxdock
Home Page: https://rxdock.gitlab.io/
molecular-docking,LABODOCK: A Colab-Based Molecular Docking Tools
User: ryanzr
molecular-docking,LaBOX: A Grid Box Calculation Tool for Molecular Docking
User: ryanzr
molecular-docking,Molecular docking is one of the molecular modeling methods that predicts the preferred orientation of one molecule (ligand) to another (receptor) when bound to each other to form a stable complex (lowest energy state).
User: sarah-hesham-2022
molecular-docking,SerenaRosi's GitHub page
User: serenarosi
molecular-docking,Automated generation of immunogenic peptides from protein structures and molecular docking analysis using AlphaFold2 and AutodockVina.
User: sergeinikolenko
molecular-docking,Molecular docking scripts for virtual screening studies
User: suleymanselim
molecular-docking,We would like to maintain a list of resources which aim to solve molecular docking and other closely related tasks.
Organization: thinklab-sjtu
molecular-docking,OPUS-Rota5: A Highly Accurate Protein Side-chain Modeling Method with 3D-Unet and RotaFormer
User: thuxugang
molecular-docking,An API to interactively run the UCSF ChimeraX molecular visualization software on the Lonestar6 supercomputer.
User: tiffanyhuff
Home Page: https://utrc.tacc.utexas.edu/
molecular-docking,A Python-based library to perform IFD and MM/GBSA calculations on different targets using a polypharmacological approach.
Organization: ucm-lbqc
Home Page: https://polypharm.rtfd.io
molecular-docking,A curated list of awesome Molecular Modeling And Drug Discovery 🔥
User: wudangt
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