Alternatives and similar repositories for rotag

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

• kamerlinlab / KIN
  Repo for the publication titled: "Key Interaction Networks: Identifying Evolutionarily Conserved Non-Covalent Interaction Networks Across…
  ☆17Updated last year
• Jnelen / DiffDockHPC
  DiffDock implementation that adds support for HPC execution using Slurm and Singularity
  ☆26Updated last month
• genki-kudo / Pocket-to-Concavity
  Pocket to Concavity is a tool for refinement of Protein-Ligand binding site shape from alpha-spheres
  ☆16Updated 8 months ago
• matteoferla / pyrosetta-help
  Some scripts that I keep using over and over.
  ☆18Updated 5 months ago
• DLab / RIP-MD
  ☆15Updated 7 years ago
• maltesie / bridge2
  GUI for interactive graph-based analyses of hydrogen bond networks in crystal structures and MD trajectories.
  ☆9Updated 2 years ago
• JingHuangLab / EViS
  EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
  ☆14Updated 3 years ago
• sokrypton / roscon2024
  Tutorial files
  ☆11Updated 10 months ago
• cbouy / ProLIF
  Protein-Ligand Interaction Fingerprints
  ☆20Updated 4 years ago
• durrantlab / subpex
  SubPEx (Sub-Pocket Explorer) is a tool to enhance ensemble (multiple-receptor/relaxed-complex) virtual screening. It uses weighted ensemb…
  ☆16Updated last year
• pstansfeld / MemProtMD
  ☆42Updated last month
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆31Updated 2 weeks ago
• YoshidomeGroup-Hydration / gr-predictor
  ☆15Updated 2 months ago
• Dankem / pyGROMODS
  Python based Graphical User Interface for generating input files for and running molecular dynamic simulation.
  ☆10Updated 9 months ago
• biotite-dev / molmarbles
  A bridge between Biotite and OpenMM
  ☆15Updated 3 months ago
• CCPBioSim / CCP5_Simulation_of_BioMolecules
  ☆14Updated 11 months ago
• shirtsgroup / cg_openmm
  Tools to build coarse grained models and perform simulations with OpenMM
  ☆24Updated 2 years ago
• chonglab-pitt / wedap
  Weighted Ensemble Data Analysis and Plotting
  ☆24Updated last week
• ld139 / ApoDock_public
  Code for ApoDock
  ☆20Updated 2 months ago
• jaaamessszzz / BindingSitesFromFragments
  De novo design of small molecule binding sites into proteins
  ☆12Updated 4 years ago
• maabuu / posebusters_em
  Energy minimization post-processing used in PoseBusters
  ☆11Updated 2 months ago
• MiaoLab20 / pyreweighting
  ☆28Updated last year
• THGLab / int2cart
  Building more accurate protein structures from backbone torsion angles
  ☆14Updated 3 months ago
• vendruscolo-lab / AlphaFold-IDP
  This repository provides with custom code and analysis scripts to generate structural ensembles of intrinsically disordered proteins by u…
  ☆18Updated 6 months ago
• PatWalters / fragment_expansion
  Software tools for fragment-based drug discovery (FBDD)
  ☆27Updated 5 years ago
• keisuke-yanagisawa / exprorer_msmd
  MSMD (mixed-solvent molecular dynamics) engine and analysis tools
  ☆19Updated 2 months ago
• susanhleung / SuCOS
  ☆19Updated 6 years ago
• kamerlinlab / KIF
  KIF - Key Interactions Finder. A python package to identify the key molecular interactions that regulate any conformational change.
  ☆29Updated 3 weeks ago
• tommyhuangthu / EvoEF2
  Physical energy function for protein sequence design
  ☆30Updated 2 years ago
• stemylonas / DeepSurf
  A surface-based deep learning approach for the prediction of ligand binding sites on proteins
  ☆43Updated 2 years ago