Alternatives and similar repositories for Colab_NAMD_Suite

Users that are interested in Colab_NAMD_Suite are comparing it to the libraries listed below

• Sbolivar16 / MolecularDocking
  Tools for molecular Docking
  ☆27Updated 3 months ago
• docking-org / pydock3
  Python package wrapping the DOCK Fortran program and providing several tools built on top of it.
  ☆14Updated last month
• bio-hpc / metascreener
  Collection of scripts that integrates docking, virtual screening, similarity and molecular modeling programs.
  ☆26Updated last week
• Muzatheking12 / MzDOCK
  MzDOCK - An Automated GUI based pipeline for Molecular Docking
  ☆21Updated last month
• molecularmodelingsection / SuMD
  Python code to run Supervised Molecular Dynamics (SuMD) simulations
  ☆15Updated last year
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated 5 months ago
• ci-lab-cz / pharmd
  MD pharmacophores and virtual screening
  ☆33Updated last year
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆27Updated 4 years ago
• porekhov / CG_probeMD
  a pipeline for running MD simulations in the presence of probe molecules for druggability assessment
  ☆12Updated last year
• BIMSBbioinfo / CompassDock
  Official Implementation of CompassDock
  ☆20Updated last year
• PKUGaoGroup / DSDPFlex
  DSDPFlex: Flexible-Receptor Docking with GPU Acceleration
  ☆24Updated 4 months ago
• APAJanssen / KinaseDocker2
  A PyMOL plugin with accompanying Docker image for kinase inhibitor binding and affinity prediction
  ☆12Updated last year
• chembl / compound_target_pairs_dataset
  Automatic extraction of interacting compound-target pairs from ChEMBL.
  ☆18Updated last month
• pb3lab / workshops
  Workshops on Computational Biology organized by our lab
  ☆10Updated last year
• pablo-arantes / Cloud-Bind
  Cloud-based Drug Binding Structure Prediction
  ☆38Updated 7 months ago
• ld139 / ApoDock_public
  Code for ApoDock
  ☆20Updated 6 months ago
• MunibaFaiza / cheminformatics
  Perform operations on chemical structures using Python.
  ☆13Updated 2 years ago
• bioinfkaustin / gromacs-on-colab
  Google Colab notebooks for running molecular dynamics simulations with GROMACS
  ☆42Updated 2 years ago
• openkinome / kinodata
  Collection of scripts / notebooks to reliably select datasets
  ☆29Updated last year
• ELELAB / pyinteraph2
  development repository for PyInteraph2
  ☆23Updated 7 months ago
• meyresearch / BALM
  Learning Binding Affinities via Fine-tuning of Protein and Ligand Language Models
  ☆30Updated 10 months ago
• haddocking / haddock-tools
  Set of useful HADDOCK utility scripts
  ☆55Updated last month
• meister-paul-j / Basic-Cheminformatics-Pipeline
  Going through a setting up a basic cheminformatics pipeline for the target EGFR
  ☆19Updated 6 months ago
• ullahsamee / PyMOLfold
  Plugin for folding sequences directly in PyMOL
  ☆27Updated 2 months ago
• ssalentin / pymol-animations
  Tutorials and examples for nicer animations (movies) and images in PyMOL.
  ☆21Updated 10 years ago
• volkamerlab / ai_in_medicine
  ☆37Updated 3 years ago
• taoshen99 / AutoMolDesigner
  The official open-source repository for AutoMolDesigner, an easy-to-use Python application dedicated to automated molecular design.
  ☆30Updated last year
• ohuelab / MEGADOCK-on-Colab
  MEGADOCK on Google Colaboratory
  ☆18Updated 2 years ago
• bbyun28 / QSAR-DrugDiscovery-with-RDkit
  ChEMBL Database used to create Lipinski Descriptors (ADME Pharmokinetic Profile) to use in a Random Forest Regression Model
  ☆14Updated 4 years ago
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆32Updated 3 years ago