Alternatives and similar repositories for pool

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

• jaaamessszzz / BindingSitesFromFragments
  De novo design of small molecule binding sites into proteins
  ☆12Updated 4 years ago
• HITS-MBM / conan
  Analysis of contacts in molecular dynamics trajectories
  ☆44Updated 6 years ago
• sarisabban / RosettaDesign
  RosettaDesign using PyRosetta
  ☆33Updated 6 years ago
• haddocking / BM5-clean
  Docking benchmark 5 - cleaned and ready to use for HADDOCK
  ☆14Updated this week
• JoaoRodrigues / interfacea
  An open-source library for the analysis of protein interactions.
  ☆32Updated 3 years ago
• vmullig / ndm1_design_scripts
  Scripts used for Mulligan et al. (2020): Computationally-designed peptide macrocycle inhibitors of New Delhi metallo-beta-lactamase 1
  ☆19Updated 4 years ago
• liyigerry / gmx
  molecular dynamics simulation and analysis. 分子动力学模拟和分析。
  ☆41Updated 6 years ago
• sdaberdaku / AntibodyInterfacePrediction
  software used in paper "Antibody interface prediction with 3D Zernike descriptors and SVM"
  ☆13Updated 4 years ago
• chenxingqiang / alphafold2-codecs
  A C, C++, Python project focusing on Docking analysis, Source code, Blogs, Data availability, References.
  ☆26Updated 2 years ago
• LPDI-EPFL / FunFolDesData
  Rosetta FunFolDes – a general framework for the computational design of functional proteins.
  ☆21Updated 6 years ago
• willsheffler / rif
  Rotamer Interaction Field Python Libraries for Computational Protein Design
  ☆13Updated 7 years ago
• ifyoungnet / ADMETlab
  A platform for systematic ADME evaluation of drug molecules, thereby accelerating the drug discovery process.
  ☆75Updated last year
• multicom-toolbox / DNCON2
  Deep convolutional neural networks for protein contact map prediction
  ☆23Updated 6 years ago
• dwhswenson / contact_map
  Contact map analysis for biomolecules; based on MDTraj
  ☆46Updated 11 months ago
• tommyhuangthu / UniDesign
  Universal framework for physically based computational protein design
  ☆35Updated 2 years ago
• alexarnimueller / LSTM_peptides
  Long short-term memory recurrent neural networks for learning peptide and protein sequences to later design new, similar examples.
  ☆77Updated 2 years ago
• RashmiKumari / g_mmpbsa
  MM-PBSA method for GROMACS. For full description, please visit homepage:
  ☆68Updated 5 months ago
• sirimullalab / DLSCORE
  DLSCORE: A deep learning based scoring function for predicting protein-ligand binding affinity
  ☆48Updated 2 years ago
• rdkit / UGM_2018
  2018 RDKit UGM
  ☆14Updated 7 years ago
• harryjubb / arpeggio
  Calculation of interatomic interactions in molecular structures
  ☆82Updated 3 years ago
• Furman-Lab / PatchMAN
  ☆27Updated last month
• haddocking / fcc
  Fraction of Common Contacts Clustering Algorithm for Protein Structures
  ☆27Updated 4 years ago
• liedllab / surface_analyses
  Scores for Hydrophobicity and Charges based on SASAs
  ☆39Updated 5 months ago
• Novartis / MoaBox
  A repository of compound-target annotations in support of Systematic Chemogenetic Library Assembly
  ☆17Updated 5 years ago
• Vfold-RNA / RLDOCK
  ☆33Updated last year
• gaoqiweng / PROTAC-Model
  Integrative modeling of PROTAC-mediated ternary complex
  ☆28Updated 3 years ago
• chengwang88 / deltavina
  DeltaVina scoring function
  ☆42Updated 8 years ago
• brianjimenez / pydock_tutorial
  PyDock Tutorial
  ☆34Updated 7 years ago
• csi-greifflab / manuscript_insilico_antibody_generation
  ☆23Updated 4 years ago
• dtischer / trdesign-motif
  Codebase for our preprint using trRosetta to design proteins with discontinuous functional sites, found here: https://www.biorxiv.org/con…
  ☆16Updated 4 years ago